LECTURE 7
TOCSY-HSQC
<tv<l>i 4>2 1    j_ y
1lj | ti ||DIPSY-2rc| 4J | 4J |
1
1
4J
1
I
t2
5N
=x,x5-x5-x5x5x,-x5-x (t)3=x5-x5x5-x5x5-x5x,-x
^i=y.y-y-y.y.y-y-y fe=y-y.y-y.y-y.y-y
(|)2=x5x,x,x,-x,-x5-x5-x receiver phase: x,-x,-x,x,-x5x,x5-x
4J 1	t3 Ik	
I1		
1	GARP	
HC(C)H-TOCSY
4>i/4>H
1V
1
H
|4J ti |4J
1
3C
x
1
3C0
t2
t2
DIPSY-2
<|>1 =X,-X,X,-X,X,-X,X,-X (|)2=X,X,-X,-X,X,X,-X,-X
4>i =y-y.y-y.y-y.y-y 4>2=y.y -y -y.y.y -y -y
receiver phase: x,-x,-x,x,-x,x,x,-x
1
1» |4J		t3
		' /V VVV 'V
	GARP	
NOESY-HSQC
<h/<l>i §2
lultl
1
1 y
m
1
J
4J I 4J I I
4J
5N
=x,x,-x5-x,x5x5-x,-x (|>3=x,-x,x,-x,x,-x,x,-x
4>i=y,y-y-y,y,y-y-y <fe=y-y>y-y>y-y>y-y
(t)2=x,x5x5x5-x5-x5-x5-x receiver phase: x,-x5-x5x5-x,x5x5-x
9.0 8.5 8.0 7.5 7.0 6.5
J_I_I_L__I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_I_l_
tt
82 (15N) : 113.721 ppm
o
o
i    i    i    i    i    i    i    i i
8
0
I      I       I       I       I       I       I       I       I       I I
8.0 7.5 7.0
i   i   i i
h0.5
H.o
H.5
h2.0
h2.5
h3.0
9.0
8.5
83 (1H)/ppm
6.5
geminal protons in methylene H-C-H 0.17 nm
vicinal protons in aromatic ring H-C=C-H 0.25 nm
Hf and H^J_3 protons in a-helix 0.34 nm
meta protons in aromatic ring H-C=CH-C-H 0.42 nm
Data			/3-sheet	a-helix
ô (CO)	<5(Ha)		t	t I
l_iai_i N ljNljN Hi HH-1			0.22 nm 0.40 nm	0.35 nm 0.28 nm
l_iq|_| l\ l_iq|_| l\ l_iq|_| l\	-2 -3I -4		too far too far too far	0.42 nm 0.34 nm 0.42 nm
3J(hNh?)			> 8 Hz	< 5 Hz
-180    -120     -60        0        60      120 180
<f> / deg.
TALOS prediction.......(oo) . . . . (ooooooooo) . . . <=>. (oooooooo) , , , , (oo oooooooooooo)............................
3J prediction .......(ooo).......(oooo)..........(oooooooo........ooooooooo).......=>. . <=...............
NOE prediction ........(oooo) . . (oooooooooooooo.ooooooooooooo) . . (o oooooooooooooo)..............(oo) . < >.
CSI prediction .......(ooo) . . . (ooooooooooo) . . . . (ooooooooooo) . . (oo oooooooooooooooo)........................
NN(i,i + 1 aN(i,i + 1
aN(i,i + 2) aN(i,i + 3)
aN(i,i + 4)
10 20 30 40 50 60 70 80 90
GIKQYSQEELKEMALVEIAHELFEEHKKPVPFQELLNEIASLLGVKKEEL GDRIAQFYTDLNIDGRFLALSDQTWGLRSWYPYDQLDEETQLEHHHHHH
TALOS -----«0000 — ««00000000000---•••-oooooooooo — ••ooo -oooooo-ooooo-----•------•------•-----------------
3J(HaH^) o o - • - o o o o o • - o o o • - o o o o o o — o«   •   00*000000000   ioooi -   o - o o o o o o o o - • o   -•-••oom     ooo*---i-oo-o---• -
CO CSI ••—ooooooo—oo«oooooooooo«   -   -ooooooo-ooo-o«oooo oo-o-o—ooo-o-   oo**-o-****   -oo-   —••-•oo—o-«o o
Ca CSI tto-nooooot — ooooooooooooo»-»-ooooooooooo-o«iooo -oooooo-ooooo»ooo#»«io-o«»noo»i-t----oo-----oo
Ha CSI -#oot-ooooo-o-o-iooo-o#t — o»»noo-ooooooo---t-oo- — o-ooo«oooooio-o«io-oooiio«ooo« — oo#ooooo-o«o
CSI -otioon----o-«-«-«« — • — ••o-o-o«---• — • — o-o — •- —•o-««-« — tooo — ooi — ••ooo*-------*----o* — •••
consensus CSI ---o---ooooo---0-00000000000----ooooooooooo-o — ooo -oooooo-ooooo-ooo----o-o---too--------oo----• o---