NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type

28734 6gat cing 1-original 28 PIPP chemical shift
RES_ID		2
RES_TYPE	LYS
SPIN_SYSTEM_ID	70
HETEROGENEITY	100
   CA  56.4330 (A.35 B.19) 
   CB  33.2740 (A.34 B.84) 
   CG  24.6490
   CD  29.2390
END_RES_DEF

RES_ID		3
RES_TYPE	ASN
PREV_TYPE	LYS(32.9)  
SPIN_SYSTEM_ID	24
HETEROGENEITY	100
   HN  8.6655 (A.34 A.35 B.87 B.84 B.85 B.19) 
   N  120.6730 (A.34 A.35 B.87 B.84 B.85 B.19) 
   CA  53.5910 (B.87) 
   HA  4.6630
   CB  38.8810 (B.85) 
   HB1|HB2  2.8377
   HB2|HB1  2.7976
   ND2  112.2460
   HD21|HD22  7.6160
   HD22|HD21  6.9320
END_RES_DEF

RES_ID		4
RES_TYPE	GLY
PREV_TYPE	ASN(62.8)  ASP(20.4)  MET(5.7)  
SPIN_SYSTEM_ID	59
HETEROGENEITY	100
   HN  8.4517 (A.78 A.79 B.48 B.49 B.50) 
   N  109.4830 (A.78 A.79 B.48 B.49 B.50) 
   CA  45.5320 (B.49) 
   HA1|HA2  3.9480
END_RES_DEF

RES_ID		5
RES_TYPE	GLU
PREV_TYPE	GLY(100.0)  
SPIN_SYSTEM_ID	30
HETEROGENEITY	100
   HN  8.2487 (A.42 B.22 B.23 B.78) 
   N  120.1170 (A.42 B.22 B.23 B.78) 
   CA  56.6440 (B.22) 
   HA  4.2730
   CB  30.2610 (B.78) 
   HB1|HB2  2.0820
   HB2|HB1  1.9500
   CG  36.4280
   HG1|HG2  2.2310
END_RES_DEF

RES_ID		6
RES_TYPE	GLN
PREV_TYPE	GLU(100.0)  
SPIN_SYSTEM_ID	27
HETEROGENEITY	100
   HN  8.4267 (A.39 A.100 B.81 B.79) 
   N  120.3990 (A.39 A.100 B.81 B.79) 
   CA  56.0950 (B.81) 
   HA  4.3270
   CB  29.4130 (B.79) 
   CG  33.8150
   HG1|HG2  2.3410
   NE2  111.6330
   HE21|HE22  7.4880
   HE22|HE21  6.8440
END_RES_DEF

RES_ID		7
RES_TYPE	ASN
PREV_TYPE	GLN(100.0)  
SPIN_SYSTEM_ID	32
HETEROGENEITY	100
   HN  8.4798 (A.46 A.47 B.24 B.74 B.27 B.26) 
   N  119.7150 (A.46 A.47 B.24 B.74 B.27 B.26) 
   CA  53.2560 (B.24) 
   HA  4.7650
   CB  39.2450 (B.27) 
   HB1|HB2  2.9000
   HB2|HB1  2.7610
   ND2  112.1410
   HD21|HD22  7.5740
   HD22|HD21  6.9080
END_RES_DEF

RES_ID		8
RES_TYPE	GLY
PREV_TYPE	ASN(60.9)  
SPIN_SYSTEM_ID	61
HETEROGENEITY	100
   HN  8.1083 (A.80 A.81 B.51 B.52 B.53) 
   N  109.0000 (A.80 A.81 B.51 B.52 B.53) 
   CA  44.5510 (B.53) 
   HA1|HA2  4.0960
END_RES_DEF

RES_ID		9
RES_TYPE	PRO
PREV_TYPE	GLY(100.0)  
SPIN_SYSTEM_ID	71
HETEROGENEITY	100
   CA  62.7430 (A.38 B.82) 
   HA  4.4000
   CB  32.2070 (A.37 B.80) 
   HB1|HB2  2.2780
   HB2|HB1  1.7550
   CG  27.1360
   HG1|HG2  2.2550
   HG2|HG1  1.9250
   CD  50.2790
END_RES_DEF

RES_ID		10
RES_TYPE	THR
SPIN_SYSTEM_ID	26
HETEROGENEITY	100
   HN  8.3295 (A.38 A.37 B.82 B.83 B.80 B.21) 
   N  120.5900 (A.38 A.37 B.82 B.83 B.80 B.21) 
   CA  64.3110 (B.83) 
   HA  3.7180
   CB  68.9670 (B.21) 
   HB  3.1320
   CG2  20.1930
   HG2#  -0.3930
END_RES_DEF

RES_ID		11
RES_TYPE	THR
SPIN_SYSTEM_ID	35
HETEROGENEITY	100
   HN  7.5766 (A.106 A.109) 
   N  119.3730 (A.106 A.109) 
   CA  60.7370 (B.107) 
   HA  4.8440
   CB  72.3050 (B.106) 
   HB  3.7310
   CG2  20.8450
   HG2#  1.2030
END_RES_DEF

RES_ID		12
RES_TYPE	CYS
SPIN_SYSTEM_ID	2
HETEROGENEITY	100
   HN  9.1448 (A.3 B.102) 
   N  126.3990 (A.3 B.102) 
   CA  61.1530 (C.102) 
   HA  4.1790
   CB  30.8510 (C.108) 
   HB1|HB2  3.4600
   HB2|HB1  3.1610
END_RES_DEF

RES_ID		13
RES_TYPE	THR
PREV_TYPE	CYS(100.0)  
SPIN_SYSTEM_ID	13
HETEROGENEITY	100
   HN  8.5652 (A.92 A.93) 
   N  122.5260 (A.92 A.93) 
   CA  65.3930 (A.50 B.109) 
   HA  3.8950
   CB  69.9730 (A.107 B.110) 
   HB  4.1960
   CG2  22.0840
   HG2#  1.3880
END_RES_DEF

RES_ID		14
RES_TYPE	ASN
PREV_TYPE	THR(100.0)  
SPIN_SYSTEM_ID	37
HETEROGENEITY	100
   HN  8.8643 (A.50 A.107 B.111 B.112) 
   N  119.3170 (A.50 A.107 B.111 B.112) 
   CA  55.7470 (B.111) 
   HA  4.8280
   CB  41.1580 (B.112) 
   HB2  3.3900
   HB1  2.5700
END_RES_DEF

RES_ID		15
RES_TYPE	CYS
PREV_TYPE	ASN(100.0)  
SPIN_SYSTEM_ID	49
HETEROGENEITY	100
   HN  8.5730 (A.61 A.63 B.63 B.61 B.62) 
   N  115.9530 (A.61 A.63 B.63 B.61 B.62) 
   CA  58.8710 (B.63) 
   HA  4.7650
   CB  32.7700 (B.62) 
   HB1|HB2  3.1600
   HB2|HB1  2.4820
END_RES_DEF

RES_ID		16
RES_TYPE	PHE
PREV_TYPE	CYS(100.0)  
SPIN_SYSTEM_ID	50
HETEROGENEITY	100
   HN  7.2781 (A.65 A.64) 
   N  114.9660 (A.65 A.64) 
   CA  59.5120 (A.60 B.115) 
   HA  4.6410
   CB  35.8300 (A.62 B.113) 
   HB1|HB2  3.3940
   CD1|CD2 131.509
   HD1|HD2  7.090
   CE1|CE2 131.07
   HE1|HE2  7.280
   CZ      129.24
   HZ       7.262
END_RES_DEF

RES_ID		17
RES_TYPE	THR
PREV_TYPE	PHE(100.0)  
SPIN_SYSTEM_ID	47
HETEROGENEITY	100
   HN  8.6888 (A.62 A.60) 
   N  116.0990 (A.62 A.60) 
   CA  63.8290 (A.30 C.116) 
   HA  4.6500
   CB  69.0490 (A.97) 
   HB  4.6440
   CG2  22.2900
   HG2#  1.2630
END_RES_DEF

RES_ID		18
RES_TYPE	GLN
PREV_TYPE	THR(100.0)  
SPIN_SYSTEM_ID	22
HETEROGENEITY	100
   HN  8.7211 (A.97 A.30) 
   N  120.9790 (A.97 A.30) 
   CA  55.5120 (A.131) 
   HA   5.442
   CB  29.8800 (A.132) 
   HB1|HB2   2.538
   HB2|HB1   2.000
   CG  34.20
   HG1|HG2   2.770
   HG2|HG1   2.510
END_RES_DEF

RES_ID		19
RES_TYPE	THR
PREV_TYPE	GLN(100.0)  
SPIN_SYSTEM_ID	76
HETEROGENEITY	100
   HN  8.4600 (A.131 A.132 B.75 B.76) 
   N  119.8359 (A.131 A.132 B.75 B.76) 
   CA  61.4190 (A.48 B.126) 
   HA  4.6550 3.8670
   CB  70.7810 (A.103 B.125) 
   HB  3.8670
   CG2  21.1030
   HG2#  1.1540
END_RES_DEF

RES_ID		20
RES_TYPE	THR
PREV_TYPE	THR(100.0)  
SPIN_SYSTEM_ID	34
HETEROGENEITY	100
   HN  8.0324 (A.103 A.48) 
   N  119.5710 (A.103 A.48) 
   CA  58.7860 (B.118) 
   HA  4.7280
   CB  69.0990 (B.121) 
   HB  3.8080
   CG2  15.5000
   HG2#  -0.8480
END_RES_DEF

RES_ID		21
RES_TYPE	PRO
PREV_TYPE	THR(100.0)  
SPIN_SYSTEM_ID	75
HETEROGENEITY	100
   CA  64.9750 (A.71) 
   HA   4.356
   CB  32.9350 (A.70) 
   HB1  2.575
   HB2  1.720
   CG  28.2320
   HG1|HG2  2.156
   HG2|HG1  2.033
   CD  52.951
   HD1|HD2  4.048
   HD2|HD1  3.733
END_RES_DEF

RES_ID		22
RES_TYPE	VAL
PREV_TYPE	PRO(100.0)  
SPIN_SYSTEM_ID	54
HETEROGENEITY	100
   HN  6.7069 (A.71 A.70 B.59 B.58) 
   N  112.9450 (A.71 A.70 B.59 B.58) 
   CA  61.0660 (B.59) 
   HA  4.1660
   CB  32.9670 (B.58) 
   HB  2.1500
   CG1 20.017
   HG1# 0.525
   CG2  22.4840
   HG2#  0.9610
END_RES_DEF

RES_ID		23
RES_TYPE	TRP
PREV_TYPE	VAL(100.0)  
SPIN_SYSTEM_ID	7
HETEROGENEITY	100
   HN  7.5943 (A.9) 
   N  124.7260 (A.9) 
   CA  56.8310 (A.25) 
   HA   4.725
   CB  30.2970 (A.95 B.147) 
   HB1|HB2  3.1730
   CD1 126.90
   HD1   7.365
   CZ2 115.015
   HZ2   7.090
   CH2 123.84
   HH2   7.142
   CZ3 119.528
   HZ3   6.452
   CE3 120.272
   HE3   7.3864
   NE1 127.68
   HE1  10.02
END_RES_DEF

RES_ID		24
RES_TYPE	ARG
PREV_TYPE	ARG(100.0)  
SPIN_SYSTEM_ID	19
HETEROGENEITY	100
   HN  9.3690 (A.95 A.25) 
   N  121.2510 (A.95 A.25) 
   CA  54.5840 (A.130) 
   HA   4.950
   HB1|HB2  2.15
END_RES_DEF

RES_ID		25
RES_TYPE	ARG
PREV_TYPE	ARG(100.0)  
SPIN_SYSTEM_ID	66
HETEROGENEITY	100
   HN  8.7893 (B.28) 
   N  119.2510 (B.28) 
   CA  54.4210 (B.28 A.127) 
   HA  5.3460
   CB  33.6620 (A.129) 
   HB1|HB2  1.705
   HB2|HB1  2.148
   CG  27.0940
   HG1|HG2  1.7390
   HG2|HG1  1.4190
   CD  43.7260
   HD1|HD2  3.0200
   NE  112.2290
   HE  7.3710
END_RES_DEF

RES_ID		26
RES_TYPE	ASN
PREV_TYPE	ARG(100.0)  
SPIN_SYSTEM_ID	65
HETEROGENEITY	100
   HN  8.6898 (B.16) 
   N  120.9210 (B.16) 
   CA  50.9220 (B.157) 
   HA   4.8304
   CB  37.1320 (B.16) 
   HB1|HB2  3.568
   HB2|HB1  2.744
END_RES_DEF

RES_ID		27
RES_TYPE	PRO
PREV_TYPE	ASN(100.0)  
SPIN_SYSTEM_ID	73
HETEROGENEITY	100
   CA  66.0110 (A.67) 
   HA  4.3670
   CB  31.6120 (A.66) 
   HB1  2.4710
   HB2  1.9070
   CG  28.1940
   HG1|HG2  2.1780
   CD  44.1400
   HD1|HD2  4.0300
   HD2|HD1  3.7330
END_RES_DEF

RES_ID		28
RES_TYPE	GLU
PREV_TYPE	PRO(54.6)  VAL(45.4)  
SPIN_SYSTEM_ID	51
HETEROGENEITY	100
   HN  7.4551 (A.67 A.66 B.38 B.60) 
   N  113.7240 (A.67 A.66 B.38 B.60) 
   CA  56.5770 (B.38) 
   HA  4.3730
   CB  29.5260 (B.60) 
   HB1|HB2  2.1220
   HB2|HB1  2.0000
   CG  37.2520
   HG1|HG2  2.3490
   HG2|HG1  2.2060
END_RES_DEF

RES_ID		29
RES_TYPE	GLY
PREV_TYPE	GLU(100.0)  
SPIN_SYSTEM_ID	63
HETEROGENEITY	100
   HN  8.4757 (A.84 A.83 B.54) 
   N  107.9530 (A.84 A.83 B.54) 
   CA  45.5700 (B.54) 
   HA1|HA2  4.2870
   HA2|HA1  3.6620
END_RES_DEF

RES_ID		30
RES_TYPE	GLN
SPIN_SYSTEM_ID	18
HETEROGENEITY	100
   HN  8.2780 (A.24 B.11 B.144) 
   N  121.6060 (A.24 B.11 B.144) 
   CA  53.1190 (B.11) 
   HA   4.6063
   CB  28.0390 (B.144) 
   HB1|HB2  2.27
   HB2|HB1  1.90
   NE2  111.8800
   HE21|HE22  7.5300
   HE22|HE21  6.8730
END_RES_DEF

RES_ID		31
RES_TYPE	PRO
PREV_TYPE	GLN(100.0)  
SPIN_SYSTEM_ID	74
HETEROGENEITY	100
   CA  63.3810 (A.10) 
   HA  4.890
   CB  32.3110 (A.90) 
   HB1|HB2  1.935
   HB2|HB1  1.732
   CG  27.6800
   HG1|HG2  2.279
   HG2|HG1  1.914
   CD  50.211
   HD1|HD2  3.7760
   HD2|HD1  3.6880
END_RES_DEF

RES_ID		32
RES_TYPE	LEU
PREV_TYPE	PRO(100.0)  
SPIN_SYSTEM_ID	8
HETEROGENEITY	100
   HN  9.2050 (A.10 A.90) 
   N  124.5340 (A.10 A.90) 
   CA  52.9230 (A.26 B.148) 
   HA  5.920
   CB  47.0650 (A.96) 
   HB1  1.5870
   HB2  1.3540
   CG  25.200
   HG   0.890
   CD1|CD2 25.37
   HD1#|HD2# 1.158
   CD2|CD1 27.434
   HD2#|HD1# 0.871
END_RES_DEF

# hg of L32 unusual. shifted uf by W23?
# One methyl is degenerate w/ HG

RES_ID		33
RES_TYPE	CYS
PREV_TYPE	LEU(100.0)  
SPIN_SYSTEM_ID	20
HETEROGENEITY	100
   HN  9.9604 (A.26 A.96 -D.1 -D.3 -D.2 -D.4) 
   N  121.1290 (A.26 A.96 -D.1 -D.3 -D.2 -D.4) 
   CA  58.2510 (A.111 B.150) 
   HA  4.3330
   CB  30.0980 (A.110) 
   HB1  3.0150
   HB2  2.6100
END_RES_DEF

RES_ID		34
RES_TYPE	ASN
PREV_TYPE	CYS(100.0)  
SPIN_SYSTEM_ID	41
HETEROGENEITY	100
   HN  8.3562 (A.110 A.111 B.69) 
   N  118.8910 (A.110 A.111 B.69) 
   CA  58.1980 (A.108 B.69) 
   HA  3.9060
   CB  39.2510 (A.52) 
   HB1|HB2  3.1710
   HB2|HB1  2.6620
END_RES_DEF

RES_ID		35
RES_TYPE	ALA
PREV_TYPE	ASN(100.0)  
SPIN_SYSTEM_ID	39
HETEROGENEITY	100
   HN  8.4990 (A.52 A.108 B.152 B.29) 
   N  119.2330 (A.52 A.108 B.152 B.29) 
   CA  56.4400 (A.20 B.152) 
   HA  4.1830
   CB  19.0920 (A.19 B.29) 
   HB#  1.7060
END_RES_DEF

RES_ID		36
RES_TYPE	CYS
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	14
HETEROGENEITY	100
   HN  9.5452 (A.20 A.19 B.153 B.154 -D.3 -D.2) 
   N  122.2130 (A.20 A.19 B.153 B.154) 
   CA  64.5670 (A.77 B.153) 
   HA  4.1020
   CB  30.1910 (A.121 B.154) 
   HB1|HB2  3.1340
   HB2|HB1  3.2730
END_RES_DEF

RES_ID		37
RES_TYPE	GLY
PREV_TYPE	CYS(100.0)  
SPIN_SYSTEM_ID	60
HETEROGENEITY	100
   HN  9.5624 (A.77 A.121 B.56 -D.5) 
   N  109.3140 (A.77 A.121 B.56 -D.5) 
   CA  47.5430 (B.56) 
   HA1|HA2  3.9910
   HA2|HA1  3.4030
END_RES_DEF

RES_ID		38
RES_TYPE	LEU
PREV_TYPE	GLY(100.0)  
SPIN_SYSTEM_ID	16
HETEROGENEITY	100
   HN  8.5858
   N  121.7130
   CA  57.6630 (B.127) 
   HA  4.1180
   CB  42.3090 (B.128) 
   HB1|HB2  1.1740
   CG  26.6740
   HG  1.8550
   CD1 28.4840
   HD1# 0.8040
   CD2 21.6100
   HD2# 0.7610
END_RES_DEF

RES_ID		39
RES_TYPE	PHE
PREV_TYPE	LEU(100.0)  
SPIN_SYSTEM_ID	38
HETEROGENEITY	100
   HN  8.2495 (A.51 A.53) 
   N  119.2530 (A.51 A.53) 
   CA  62.3760 (A.113 B.130) 
   HA  4.000
   CB  41.3910 (A.112 B.129) 
   HB1  3.2250
   HB2  3.5040
   CD1|CD2 132.019
   HD1|HD2   7.418
   CE1|CE2 131.50
   HE1|HE2   7.180
   CZ      131.09
   HZ        7.058
END_RES_DEF

RES_ID		40
RES_TYPE	LEU
PREV_TYPE	PHE(100.0)  
SPIN_SYSTEM_ID	42
HETEROGENEITY	100
   HN  7.8894 (A.112 A.113 B.70 B.30) 
   N  118.7340 (A.112 A.113 B.70 B.30) 
   CA  57.7500 (B.30) 
   HA   4.620
   CB  42.3900 (A.105 B.132) 
   HB1|HB2  1.9720
   HB2|HB1  1.780
   CG  27.2
   HG   1.559
   CD2 26.4340
   HD2# 1.0170
   CD1 21.9290
   HD1# 0.742
END_RES_DEF

RES_ID		41
RES_TYPE	LYS
PREV_TYPE	LEU(100.0)  
SPIN_SYSTEM_ID	36
HETEROGENEITY	100
   HN  7.6544 (A.49 A.105 B.71 B.72) 
   N  119.3490 (A.49 A.105 B.71 B.72) 
   CA  58.6850 (B.71) 
   HA  4.0200
   CB  32.3130 (B.72) 
   HB1|HB2  2.0850
   HB2|HB1  1.9400
   CG  24.7060
   HG1|HG2  1.5840
   CD  28.7750
   HD1|HD2  1.7860
   CE  41.9620
   HE1|HE2  3.0950
END_RES_DEF

RES_ID		42
RES_TYPE	LEU
PREV_TYPE	LYS(100.0)  
SPIN_SYSTEM_ID	45
HETEROGENEITY	100
   HN  7.8796 (A.115 A.58 B.34 B.66) 
   N  116.8830 (A.115 A.58 B.34 B.66) 
   CA  56.8550 (B.34) 
   HA  4.1030
   CB  42.5180 (A.76) 
   HB2 1.408
   HB1 1.112
   CG 27.590
   HG 1.215
   CD1|CD2 24.235
   HD1#|HD2# 0.786
   CD2|CD1 23.910
   HD2#|HD2# 0.717
END_RES_DEF

RES_ID		43
RES_TYPE	HIS
PREV_TYPE	LEU(100.0)  
SPIN_SYSTEM_ID	58
HETEROGENEITY	100
   HN  8.3948 (A.75 A.76) 
   N  111.4390 (A.75 A.76) 
   CA  56.0770 (A.82 B.133) 
   HA   4.7565
   CB  30.6780 (A.122) 
   HB1  3.1870
   HB2  2.8900
   CD2 118.900
   HD2   5.562
   CE1 136.428
   HE1   8.397
END_RES_DEF

RES_ID		44
RES_TYPE	GLY
PREV_TYPE	HIS(15.2)  
SPIN_SYSTEM_ID	62
HETEROGENEITY	100
   HN  8.5847 (A.122 A.82 B.55) 
   N  108.7760 (A.122 A.82 B.55) 
   CA  46.1080 (B.55) 
   HA1|HA2  4.1920
   HA2|HA1  3.9380
END_RES_DEF

RES_ID		45
RES_TYPE	VAL
SPIN_SYSTEM_ID	56
HETEROGENEITY	100
   HN  7.2458 (A.73 B.43) 
   N  112.1940 (A.73 B.43) 
   CA  58.3210 (B.43) 
   HA  4.6180
   CB  35.8660 (B.136) 
   HB  2.2440
   CG1  21.8220
   HG1#  1.0300
   CG2  18.8500
   HG2#  0.9290
END_RES_DEF

RES_ID		46
RES_TYPE	VAL
SPIN_SYSTEM_ID	57
HETEROGENEITY	100
   HN  7.6071 (A.74) 
   N  112.0390 (A.74) 
   CA  61.1070 (A.11 B.137) 
   HA  4.2110
   CB  32.1610 (A.91 B.138) 
   HB  2.1500
   CG1  22.0000
   HG1#  1.0510
   CG2  18.6970
   HG2#  0.8470
END_RES_DEF

RES_ID		47
RES_TYPE	ARG
PREV_TYPE	VAL(42.2)  
SPIN_SYSTEM_ID	9
HETEROGENEITY	100
   HN  8.4564 (A.91 A.11) 
   N  123.7050 (A.91 A.11) 
   CA  54.2040 (B.139) 
   HA   4.09  
END_RES_DEF

RES_ID		48
RES_TYPE	PRO
PREV_TYPE	ARG(100.0)  
SPIN_SYSTEM_ID	72
HETEROGENEITY	100
   CA  62.8050 (A.13) 
   HA  4.2250
   CB  32.5060 (A.12) 
   HB1|HB2  2.2460
   HB2|HB1  1.8560
   CG  27.0730
   HG1|HG2  1.9330
   CD  49.5800
   HD1|HD2  3.6180
   HD2|HD1  3.5700
END_RES_DEF

RES_ID		49
RES_TYPE	LEU
PREV_TYPE	PRO(100.0)  
SPIN_SYSTEM_ID	10
HETEROGENEITY	100
   HN  8.3705 (A.13 A.12 B.6 B.7) 
   N  123.3230 (A.13 A.12 B.6 B.7) 
   CA  57.0230 (B.6) 
   HA  3.9300
   CB  41.0410 (B.7) 
   HB1|HB2  1.7030
   HB2|HB1  1.6470
   CG  27.7020
   HG  1.7910
   CD1  24.4100
   HD1#  0.9760
   CD2  23.5350
   HD2#  0.8730
END_RES_DEF

RES_ID		50
RES_TYPE	SER
PREV_TYPE	LEU(19.1)  
SPIN_SYSTEM_ID	52
HETEROGENEITY	100
   HN  7.9368 (A.119 A.69 B.37 B.140) 
   N  113.5210 (A.119 A.69 B.37 B.140) 
   CA  59.9760 (A.40 B.37) 
   HA  4.1370
   CB  62.1780 (A.101 B.140) 
   HB1|HB2  3.9570
   HB2|HB1  3.8380
END_RES_DEF

RES_ID		51
RES_TYPE	LEU
PREV_TYPE	SER(100.0)  
SPIN_SYSTEM_ID	29
HETEROGENEITY	100
   HN  7.2784 (A.40 A.101 B.20) 
   N  120.2950 (A.40 A.101 B.20) 
   CA  54.9410 (B.20) 
   HA  4.2960
   CB  41.3500 (B.141) 
   HB1  1.7250
   HB2  1.4760
   CG  27.3010
   HG  1.4860
   CD1 25.3890
   HD1# 0.8280
   CD2 22.3620
   HD2# 0.8150
END_RES_DEF

RES_ID		52
RES_TYPE	LYS
PREV_TYPE	LEU(100.0)  
SPIN_SYSTEM_ID	31
HETEROGENEITY	100
   HN  7.4233 (A.104 A.45 B.73 B.25) 
   N  119.7400 (A.104 A.45 B.73 B.25) 
   CA  58.0710 (B.73) 
   HA  4.1630
   CB  33.0370 (B.25) 
   HB1|HB2  2.0470
   HB2|HB1  1.8830
   CG  24.8430
   HG1|HG2  1.419
   CD  30.1780
   HD1|HD2  1.8740
   HD2|HD1  1.6900
   CE  42.1880
   HE1|HE2  3.0380
END_RES_DEF

RES_ID		53
RES_TYPE	THR
PREV_TYPE	LYS(100.0)  
SPIN_SYSTEM_ID	33
HETEROGENEITY	100
   HN  8.7141 (A.44 A.43 B.77 B.75 B.76) 
   N  119.6780 (A.44 A.43 B.77 B.75 B.76) 
   CA  60.1640 (B.75) 
   HA  4.7260
   CB  70.7760 (B.76) 
   HB  4.2790
   CG2  20.6250
   HG2#  1.2560
END_RES_DEF

RES_ID		54
RES_TYPE	ASP
PREV_TYPE	THR(100.0)  
SPIN_SYSTEM_ID	15
HETEROGENEITY	100
   HN  8.5943 (A.21 A.18 B.9) 
   N  122.1520 (A.21 A.18 B.9) 
   CA  54.7310 (B.9) 
   HA  4.8610
   CB  42.2770 (B.10) 
   HB1  2.9660
   HB2  2.5960
END_RES_DEF

RES_ID		55
RES_TYPE	VAL
PREV_TYPE	ASP(100.0)  
SPIN_SYSTEM_ID	43
HETEROGENEITY	100
   HN  7.9313 (A.55 A.56 B.31 B.32) 
   N  118.0090 (A.55 A.56 B.31 B.32) 
   CA  61.1930 (B.31) 
   HA  4.2800
   CB  34.8690 (B.32) 
   HB  1.9310
   CG1|CG2  20.670
   HG1#|HG2#  0.9000
   CG2|CG1  21.000
   HG2#|HG1#  0.8620
END_RES_DEF

RES_ID		56
RES_TYPE	ILE
PREV_TYPE	VAL(100.0)  
SPIN_SYSTEM_ID	4
HETEROGENEITY	100
   HN  8.4375 (A.4 A.6 B.99 B.2 B.3 B.100) 
   N  125.9790 (A.4 A.6 B.99 B.2 B.3 B.100) 
   CA  59.4940 (B.99) 
   HA  4.1900
   CB  37.6430 (B.3) 
   HB  1.8720
   CG1  26.7550
   HG11|HG12  1.4190
   HG12|HG11  1.2280
   CG2  17.5750
   HG2#  0.9070
   CD1  11.9350
   HD1#  0.8240
END_RES_DEF

RES_ID		57
RES_TYPE	LYS
PREV_TYPE	ILE(100.0)  
SPIN_SYSTEM_ID	1
HETEROGENEITY	100
   HN  8.9132 (A.1 A.2 B.104 B.103 B.105) 
   N  130.9190 (A.1 A.2 B.104 B.103 B.105) 
   CA  56.0520 (B.104) 
   HA  4.3210
   CB  32.4310 (B.103) 
   HB1|HB2  1.861
   HB2|HB1  1.661
   CG  24.9940
   HG1|HG2  1.4370
   HG2|HG1  1.398
   CD  29.3180
   HD1|HD2  1.7000
   CE  41.7240
   HE1|HE2  3.0050
END_RES_DEF

RES_ID		58
RES_TYPE	LYS
PREV_TYPE	LYS(100.0)  
SPIN_SYSTEM_ID	11
HETEROGENEITY	100
   HN  8.0162 (A.14 A.15 B.8 B.92) 
   N  122.8830 (A.14 A.15 B.8 B.92) 
   CA  55.8150 (A.41 B.8) 
   HA  4.5210
   CB  32.7030 (A.102 B.92) 
   HB1|HB2  1.8920
   HB2|HB1  1.6280
   CG  24.6230
   HG1|HG2  1.5700
   HG2|HG1  1.5170
   CD  28.1220
   HD1|HD2  1.7100
   HD2|HD1  1.6770
   CE  41.4700
   HE1|HE2  3.1230
   HE2|HE1  3.0230
END_RES_DEF

RES_ID		59
RES_TYPE	ARG
PREV_TYPE	LYS(100.0)  
SPIN_SYSTEM_ID	28
HETEROGENEITY	100
   HN  8.9739 (A.102 A.41) 
   N  120.2970 (A.102 A.41) 
   CA  54.5980 (B.142) 
   HA   4.699
   CB  33.3220 (B.143) 
   HB1|HB2 1.774
   HB2|HB1 1.500
END_RES_DEF

RES_ID		60
RES_TYPE	ASN
PREV_TYPE	ARG(100.0)  
SPIN_SYSTEM_ID	17
HETEROGENEITY	100
   HN  9.1437 (A.94 A.23 B.90 B.12) 
   N  121.6220 (A.94 A.23 B.90 B.12) 
   CA  53.1620 (B.90) 
   HA  4.6640
   CB  39.0990 (B.12) 
   HB1|HB2  2.7880
END_RES_DEF

RES_ID		61
RES_TYPE	ARG
PREV_TYPE	ASN(100.0)  
SPIN_SYSTEM_ID	12
HETEROGENEITY	100
   HN  8.4813 (A.17 A.16 B.94 B.93 B.91) 
   N  122.8370 (A.17 A.16 B.94 B.93 B.91) 
   CA  53.8710 (B.94) 
   HA  4.4540
   CB  30.5540 (A.32 B.93) 
   HB1|HB2  1.690
   HB2|HB1  1.970
   CG  27.0010
   HG1|HG2  1.7301
   HG2|HG1  1.5621
   CD  42.1510
   HD1|HD2  3.283
   HD2|HD1  3.1811
END_RES_DEF

RES_ID		62
RES_TYPE	ASN
PREV_TYPE	ARG(13.0)  
SPIN_SYSTEM_ID	25
HETEROGENEITY	100
   HN  8.7308 (A.32 A.33 B.86 B.18) 
   N  120.6710 (A.32 A.33 B.86 B.18) 
   CA  53.4130 (B.86) 
   HA  4.7740
   CB  39.1650 (B.18) 
   HB1|HB2  2.9120
   HB2|HB1  2.7560
   ND2  112.4730
   HD21|HD22  7.6320
   HD22|HD21  6.9260
END_RES_DEF

RES_ID		63
RES_TYPE	SER
PREV_TYPE	ASN(61.5)  
SPIN_SYSTEM_ID	46
HETEROGENEITY	100
   HN  8.4379 (A.59 A.116 B.64 B.65 B.36 B.35) 
   N  116.6770 (A.59 A.116 B.64 B.65 B.36 B.35) 
   CA  58.4850 (B.64) 
   HA  4.4460
   CB  63.8450 (B.36) 
   HB1|HB2  3.9310
   HB2|HB1  3.8930
END_RES_DEF

RES_ID		64
RES_TYPE	ALA
PREV_TYPE	SER(100.0)  
SPIN_SYSTEM_ID	5
HETEROGENEITY	100
   HN  8.4503 (A.88 A.87 B.96 B.97 B.4 B.98) 
   N  125.4430 (A.88 A.87 B.96 B.97 B.4 B.98) 
   CA  52.8230 (B.97) 
   HA  4.3770
   CB  19.2250 (B.98) 
   HB#  1.4210
END_RES_DEF

RES_ID		65
RES_TYPE	ASN
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	44
HETEROGENEITY	100
   HN  8.3415 (A.114 A.57 B.33 B.67 B.68) 
   N  117.6080 (A.114 A.57 B.33 B.67 B.68) 
   CA  53.2280 (A.27 B.67) 
   HA  4.7780
   CB  39.2020 (A.28 B.68) 
   HB1|HB2  2.8870
   HB2|HB1  2.7430
   ND2  112.2200
   HD21|HD22  7.5820
   HD22|HD21  6.9260
END_RES_DEF

RES_ID		66
RES_TYPE	SER
PREV_TYPE	ASN(100.0)  
SPIN_SYSTEM_ID	21
HETEROGENEITY	100
   HN  7.8712 (A.28 A.27 B.88 B.14 B.13) 
   N  121.1080 (A.28 A.27 B.88 B.14 B.13) 
   CA  60.1170 (B.14) 
   HA  4.2870
   CB  62.3370 (B.13) 
   HB1|HB2  3.8750
END_RES_DEF



G.  DNA 1H Chemical Shift Assignments


RES_ID		101
RES_TYPE	CYT
SPIN_SYSTEM_ID	101
HETEROGENEITY	100
   H5'|H5'' 3.696
   H4'  4.043
   H3'  4.690
   H2'  1.8660
   H2'' 2.3510
   H1'  5.695
   H6   7.643
   H5   5.929
   HN'|HN'' 6.942
END_RES_DEF

RES_ID		102
RES_TYPE	ADE
SPIN_SYSTEM_ID	102
HETEROGENEITY	100
   H5'' 4.104
   H5'  4.346
   H3'  5.0640
   H2'  2.7420
   H2'' 3.0390
   H1'  6.0970
   H8  8.2560
END_RES_DEF

RES_ID		103
RES_TYPE	GUA
SPIN_SYSTEM_ID	103
HETEROGENEITY	100
   H5'|H5'' 4.145
   H5''|H5' 4.342
   H4'  4.0890
   H3'  5.0630
   H2'|H2''  2.6620
   H1'  5.7580
   H1  12.527
   H8  7.8640
END_RES_DEF

RES_ID		104
RES_TYPE	THY
SPIN_SYSTEM_ID	104
HETEROGENEITY	100
   H4'  4.1190
   H3'  4.8540
   H2'  1.7520
   H2''  2.3250
   H1'  5.8580
   H3  13.326
   H6  6.6890
   H5# 1.069
END_RES_DEF

RES_ID		105
RES_TYPE	GUA
SPIN_SYSTEM_ID	105
HETEROGENEITY	100
   H5'|H5'' 4.3690
   H4'  4.8540
   H3'  5.0120
   H2'  2.6690
   H2''  2.8720
   H1'  5.6750
   H1  12.689
   H8  8.0170
END_RES_DEF

RES_ID		106
RES_TYPE	ADE
SPIN_SYSTEM_ID	106
HETEROGENEITY	100
   H5'' 4.235
   H5' 4.378
   H4'  4.485
   H3'  5.0040
   H2'  2.6400
   H2''  2.9400
   H1'  6.1970
   H2  7.613
   H8  8.2020
END_RES_DEF

RES_ID		107
RES_TYPE	THY
SPIN_SYSTEM_ID	107
HETEROGENEITY	100
   H5'|H5'' 4.129
   H4'  4.8520
   H3'  4.997
   H2'  1.890
   H2'' 2.4410
   H1' 5.7770
   H3 13.022
   H6  6.9660
   H5# 1.172
END_RES_DEF

RES_ID		108
RES_TYPE	ADE
SPIN_SYSTEM_ID	108
HETEROGENEITY	100
   H5'|H5''  4.0460
   H5''|H5'  4.1350
   H4'  4.8550
   H3'  5.0000
   H2'  2.690
   H2'' 2.750
   H1'  5.4720
   H2  6.637
   H8  8.3900
END_RES_DEF

RES_ID		109
RES_TYPE	GUA
SPIN_SYSTEM_ID	109
HETEROGENEITY	100
   H3'  5.1510
   H1'  5.758
   H1  12.296
   H8   7.845
END_RES_DEF

RES_ID		110
RES_TYPE	ADE
SPIN_SYSTEM_ID	110
HETEROGENEITY	100
   H2  7.589
END_RES_DEF

RES_ID		111
RES_TYPE	GUA
SPIN_SYSTEM_ID	111
HETEROGENEITY	100
   H1 12.600 
END_RES_DEF

RES_ID		112
RES_TYPE	ADE
SPIN_SYSTEM_ID	112
HETEROGENEITY	100
   H5'|H5''  4.334
   H5''|H5'  4.194
   H4'  4.388
   H3'  4.945
   H2'  2.531
   H2'' 2.828
   H1'  6.263
   H8   8.082
END_RES_DEF

RES_ID		113
RES_TYPE	CYT
SPIN_SYSTEM_ID	113
HETEROGENEITY	100
   H3' 4.949
   H2'|H2'' 2.012
   H1' 6.057
   H5  5.312
   H6  7.309
END_RES_DEF

RES_ID		114
RES_TYPE	GUA
SPIN_SYSTEM_ID	114
HETEROGENEITY	100
   H5'|H5'' 3.775 
   H5''|H5' 3.821
   H4'  4.225
   H3'  4.731
   H2'  2.700 
   H2'' 2.801  
   H1'  6.028 
   H8   7.997
END_RES_DEF

RES_ID		115
RES_TYPE	THY
SPIN_SYSTEM_ID	115
HETEROGENEITY	100
   H3'  4.933 
   H2'  2.328 
   H1'  6.193 
   H6   7.513
   H5#  1.275
END_RES_DEF

RES_ID		116
RES_TYPE	CYT
SPIN_SYSTEM_ID	116
HETEROGENEITY	100
   H5'|H5'' 4.155
#   H4' 4.772
   H3'  4.904
   H2'  2.039
   H2'' 2.496
   H1'  6.041
   H5   5.590
   H6   7.576
   HN'  6.926
   HN'' 8.293
END_RES_DEF

RES_ID		117
RES_TYPE	THY
SPIN_SYSTEM_ID	117
HETEROGENEITY	100
   H5'|H5'' 4.167
   H4'  4.394
   H3'  4.914
   H2'  2.145
   H2'' 2.449
   H1'  5.912
   H3  14.520
   H6   7.420
   H5#  1.547
END_RES_DEF

RES_ID		118
RES_TYPE	CYT
SPIN_SYSTEM_ID	118
HETEROGENEITY	100
#   H5'|H5'' 4.090
#   H5''|H5' 4.043 
   H4'  4.254
   H3'  5.006
   H2'  1.987
   H2'' 2.413
   H1'  6.110
   H5   5.539
   H6   7.559  
   HN'  7.047
   HN'' 8.050
END_RES_DEF

RES_ID		119
RES_TYPE	THY
SPIN_SYSTEM_ID	119
HETEROGENEITY	100
   H5''|H5' 4.008
   H3'  4.949
   H2'  1.940
   H2'' 2.777
   H3  14.520
   H6   8.152
   H5#  1.733
END_RES_DEF

RES_ID		120
RES_TYPE	ADE
SPIN_SYSTEM_ID	120
HETEROGENEITY	100
   H5'|H5'' 4.125 
   H5''|H5' 4.437
   H4'  4.802
   H3'  5.084
   H2'  2.222
   H2'' 3.079
   H1' 6.206 
   H2  7.459
   H8  8.168 
END_RES_DEF

RES_ID		121
RES_TYPE	THY
SPIN_SYSTEM_ID	121
HETEROGENEITY	100
   H5'' 4.098
   H5'  3.865
   H4'  4.340
   H3'  4.886
   H2'  2.075 
   H2'' 2.410 
   H1'  5.650
   H3  13.167
   H6   6.850
   H5#  1.219
END_RES_DEF

RES_ID		122
RES_TYPE	CYT
SPIN_SYSTEM_ID	122
HETEROGENEITY	100
   H2'  1.663
   H2'' 2.244
   H1'  5.631
   H6   7.317
   H5   5.640
   HN'  6.733
   HN'' 8.044
END_RES_DEF

RES_ID		123
RES_TYPE	ADE
SPIN_SYSTEM_ID	123
HETEROGENEITY	100
   H5'|H5'' 4.008
   H5''|H5' 4.125
   H4'  4.439
   H3'  5.006
   H2'  2.753
   H2'' 2.925
   H1'  6.310
   H2   7.632
   H8   8.322
END_RES_DEF

RES_ID		124
RES_TYPE	CYT
SPIN_SYSTEM_ID	124
HETEROGENEITY	100
   H4'  4.684
   H3'  5.004
   H2'  1.719
   H2'' 2.293
   H1'  5.708
   H5   5.278
   H6   7.174
   HN'  6.712
   HN'' 8.137
END_RES_DEF

RES_ID		125
RES_TYPE	THY
SPIN_SYSTEM_ID	125
HETEROGENEITY	100
   H2'  1.602
   H2'' 1.989
   H1'  5.836
   H6   7.306
   H5#  1.599
END_RES_DEF

RES_ID		126
RES_TYPE	GUA
SPIN_SYSTEM_ID	126
HETEROGENEITY	100
   H5'|H5''  4.152
   H5''|H5'  4.050
   H4'  4.676
   H3'  4.830
   H2'  2.326
   H2'' 2.602
   H1'  6.157
   H8   7.918
END_RES_DEF
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Saturday, April 27, 2024 5:35:07 PM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	28734	6gat	cing	1-original	28	PIPP	chemical shift