NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
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14311 |
1wje   |
cing | 1-original | 7 | PIPP | chemical shift |
RES_ID 1 RES_TYPE PHE PREV_TYPE MET(100.0) SPIN_SYSTEM_ID 100 HETEROGENEITY 100 HN 8.382 N 120.930 HA 4.706 CA 58.1682 HB1|HB2 3.154 CB 39.3752 HD1|HD2 7.266 CD1|CD2 132.018 END_RES_DEF RES_ID 2 RES_TYPE LEU PREV_TYPE PHE SPIN_SYSTEM_ID 10 HETEROGENEITY 100 HN 8.0950 N 122.1225 HA 4.232 CA 55.7735 HB1|HB2 1.561 HB2|HB1 1.516 CB 42.1927 HG 1.525 CG 26.9906 HD1#|HD2# 0.856 CD1|CD2 25.4893 HD2#|HD1# 0.787 CD2|CD1 23.7784 C 177.29 END_RES_DEF RES_ID 3 RES_TYPE ASP PREV_TYPE LEU(100.0) SPIN_SYSTEM_ID 18 HETEROGENEITY 100 HN 8.2943 N 120.0100 HA 4.528 CA 55.8864 HB1|HB2 2.785 CB 29.7182 C 177.30 END_RES_DEF RES_ID 4 RES_TYPE GLY PREV_TYPE ASP SPIN_SYSTEM_ID 48 HETEROGENEITY 100 HN 8.4259 N 108.0920 HA1|HA2 4.014 HA2|HA1 4.085 CA 46.8796a C 174.60 END_RES_DEF RES_ID 5 RES_TYPE ILE PREV_TYPE GLY(100.0) SPIN_SYSTEM_ID 27 HETEROGENEITY 100 HN 7.7682 N 119.3300 HA 3.482 CA 65.1175 HB 1.770 CB 38.0633 HG11|HG12 1.530 CG1 29.5224 HG2# 0.785 CG2 17.1538 HD1# 0.788 CD1 14.1000a C 176.67 END_RES_DEF RES_ID 6 RES_TYPE ASP PREV_TYPE ILE(100.0) SPIN_SYSTEM_ID 24 HETEROGENEITY 100 HN 8.0195 N 118.4558 HA 4.343 CA 56.8587 HB1|HB2 2.736 CB 39.4295 C 178.43 END_RES_DEF RES_ID 7 RES_TYPE LYS PREV_TYPE ASP(25.3) SPIN_SYSTEM_ID 26 HETEROGENEITY 100 HN 7.8136 N 120.4589 HA 3.960 CA 58.6271 HB1|HB2 1.723 HB2|HB1 1.769 CB 32.3647 HG1|HG2 1.530 CG 25.4098 HD1|HD2 1.702 CD 28.9479 HE1|HE2 3.046 CE 42.1481 a C 177.42 END_RES_DEF RES_ID 8 RES_TYPE ALA PREV_TYPE LYS(35.4) SPIN_SYSTEM_ID 28 HETEROGENEITY 100 HN 7.6285 N 121.5946 HA 2.933 CA 55.2944 HB# 0.776 CB 18.2751 C 179.16 END_RES_DEF RES_ID 9 RES_TYPE GLN PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 45 HETEROGENEITY 100 HN 7.8662 N 113.1224 HA 3.643 CA 59.4923 HB1|HB2 2.153 HB2|HB1 2.040 CB 29.0395 HG1|HG2 2.485 CG 34.7736 HE21|HE22 7.119 HE22|HE21 6.773 NE2 110.455 C 179.69 END_RES_DEF RES_ID 10 RES_TYPE GLU PREV_TYPE GLN(15.4) SPIN_SYSTEM_ID 25 HETEROGENEITY 100 HN 7.8477 N 118.9647 HA 4.072 CA 59.0300 HB1|HB2 2.249 CB 29.0100 HG1|HG2 2.577 HG2|HG1 2.453 CG 34.6765 C 178.45 END_RES_DEF RES_ID 11 RES_TYPE GLU PREV_TYPE GLU(24.4) SPIN_SYSTEM_ID 37 HETEROGENEITY 100 HN 7.8407 N 115.8280 HA 4.709 CA 55.3425 HB1|HB2 1.981 HB2|HB1 2.323 CB 29.2040 HG1|HG2 2.691 HG2|HG1 2.527 CG 34.3674 C 177.76 END_RES_DEF RES_ID 12 RES_TYPE CYS PREV_TYPE GLU(15.3) SPIN_SYSTEM_ID 34 HETEROGENEITY 100 HN 7.2382 N 116.8600 HA 4.216 CA 60.2554 HB1|HB2 2.963 HB2|HB1 3.467 CB 40.6140 C 176.96 END_RES_DEF RES_ID 13 RES_TYPE GLU PREV_TYPE CYS(100.0) SPIN_SYSTEM_ID 1 HETEROGENEITY 100 HN 9.1385 N 124.4163 HA 4.047 CA 59.9990 HB1|HB2 2.064 CB 28.3061 HG1|HG2 2.483 CG 34.7521 C 178.60 END_RES_DEF RES_ID 14 RES_TYPE LYS PREV_TYPE GLU(19.7) SPIN_SYSTEM_ID 36 HETEROGENEITY 100 HN 7.7833 N 116.5581 HA 3.946 CA 58.0156 HB1|HB2 1.727 CB 32.0564 HG1|HG2 1.13 CG 24.7565 HD1|HD2 1.61 CD 29.6931 HE1|HE2 2.870 CE 42.4966 C 177.27 END_RES_DEF RES_ID 15 RES_TYPE TYR PREV_TYPE LYS(25.4) SPIN_SYSTEM_ID 38 HETEROGENEITY 100 HN 7.3687 N 114.6992 HA 4.181 CA 60.0824 HB1|HB2 3.203 HB2|HB1 2.656 CB 38.9638 HD1|HD2 7.240 CD1|CD2 133.777 HE1|HE2 6.781 CE1|CE2 117.631 C 176.57 END_RES_DEF RES_ID 16 RES_TYPE HIH(21.8) PREV_TYPE TYR(31.8) SPIN_SYSTEM_ID 35 HETEROGENEITY 100 HN 7.5760 N 116.7558 HA 4.379 CA 57.6763 HB1|HB2 3.460 CB 26.8978 C 174.56 END_RES_DEF RES_ID 17 RES_TYPE SER PREV_TYPE HIH(22.1) SPIN_SYSTEM_ID 43 HETEROGENEITY 100 HN 8.6909 N 112.6252 HA 4.445 CA 59.4884 HB1|HB2 4.181 CB 62.8864 C 174.39 END_RES_DEF RES_ID 18 RES_TYPE ASN PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 19 HETEROGENEITY 100 HN 8.5107 N 121.0777 HA 4.890 CA 52.0130 HB1|HB2 3.582 HB2|HB1 2.836 CB 37.0868 HD21|HD22 7.696 HD22|HD21 6.896 ND2 111.625 C 174.68 END_RES_DEF RES_ID 19 RES_TYPE TRP PREV_TYPE ASN(64.0) SPIN_SYSTEM_ID 8 HETEROGENEITY 100 HN 7.8616 N 122.4726 HA 4.197 CA 58.2355 HB1|HB2 3.201 HB2|HB1 2.983 CB 28.2748 HD1 7.549 CD1 128.149 HZ2 7.545 CZ2 115.110 HE3 7.204 CE3 120.256 HH2 7.238 CH2 124.964 HZ3 7.017 CZ3 122.10 HE1 10.375 NE1 130.03 C 177.62 END_RES_DEF RES_ID 20 RES_TYPE ARG PREV_TYPE TRP(8.4) SPIN_SYSTEM_ID 3 HETEROGENEITY 100 HN 7.4376 N 124.5711 HA 3.461 CA 60.1994 HB1|HB2 1.349 HB2|HB1 1.030 CB 29.1700 HG1|HG2 0.267 HG2|HG1 0.602 CG 27.1361 HD1|HD2 2.773 HD2|HD1 2.856 CD 43.0187 C 179.25 END_RES_DEF RES_ID 21 RES_TYPE ALA PREV_TYPE ARG(16.1) SPIN_SYSTEM_ID 6 HETEROGENEITY 100 HN 7.2904 N 122.0817 HA 4.163 CA 54.2677 HB# 1.556 CB 18.3558 C 178.73 END_RES_DEF RES_ID 22 RES_TYPE MET PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 33 HETEROGENEITY 100 HN 6.9537 N 117.7649 HA 3.270 CA 59.6289 HB1|HB2 1.660 HB2|HB1 1.365 CB 33.9535 HG1|HG2 1.920 HG2|HG1 1.783 CG 31.7755 C 177.50 END_RES_DEF RES_ID 23 RES_TYPE ALA PREV_TYPE MET(6.7) SPIN_SYSTEM_ID 20 HETEROGENEITY 100 HN 8.6552 N 120.1098 HA 3.922 CA 55.7539 HB# 1.656 CB 17.4528 179.83 END_RES_DEF RES_ID 24 RES_TYPE SER PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 50 HETEROGENEITY 100 HN 7.6503 N 110.1064 HA 4.327 CA 60.9892 HB1|HB2 3.952 CB 63.1969 C 177.31 END_RES_DEF RES_ID 25 RES_TYPE ASP PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 65 HETEROGENEITY 100 HN 8.5728 N 120.8020 HA 4.222 CA 57.0591 HB1|HB2 2.530 HB2|HB1 1.962 CB 39.7872 C 177.90 END_RES_DEF RES_ID 26 RES_TYPE PHE(37.7) PREV_TYPE ASP(32.4) SPIN_SYSTEM_ID 52 HETEROGENEITY 100 HN 7.6926 N 112.6738 HA 4.646 CA 57.9102 HB1|HB2 2.438 HB2|HB1 3.282 CB 39.5237 HD1|HD2 7.302 CD1|CD2 131.983 HE1|HE2 6.745 HZ 6.944 C 173.99 END_RES_DEF RES_ID 27 RES_TYPE ASN(58.1) PREV_TYPE PHE(38.4) SPIN_SYSTEM_ID 30 HETEROGENEITY 100 HN 7.6220 N 118.9671 HA 4.471 CA 54.3618 HB1|HB2 3.168 HB2|HB1 2.709 CB 37.1756 HD21|HD22 7.512 HD22|HD21 6.776 ND2 111.805 C 174.348 END_RES_DEF RES_ID 28 RES_TYPE LEU PREV_TYPE ASN(57.9) SPIN_SYSTEM_ID 40 HETEROGENEITY 100 HN 8.5005 N 116.2220 HA 4.921 CA 51.2390 HB1|HB2 1.345 HB2|HB1 1.213 CB 44.8316 HG 1.570 CG 26.174 HD1#|HD2# 0.725 CD1|CD2 23.285 HD2#|HD1# 0.482 CD2|CD1 26.00 END_RES_DEF RES_ID 29 RES_TYPE PRO PREV_TYPE PRO(100.0) SPIN_SYSTEM_ID 102 HETEROGENEITY 100 HA 4.855 CA 61.05 HB1|HB2 2.615 HB2|HB1 2.183 CB 31.90 HG1|HG2 2.190 HG2|HG1 2.250 CG 27.97 HD1|HD2 3.941 HD2|HD1 4.044 CD 50.82 END_RES_DEF RES_ID 30 RES_TYPE PRO PREV_TYPE PRO(100.0) SPIN_SYSTEM_ID 101 HETEROGENEITY 100 HA 4.012 CA 66.7449 HB1|HB2 2.00 HB2|HB1 2.32 CB 32.4221 HG1|HG2 2.100 CD 50.9378 HD1|HD2 3.993 HD2|HD1 4.037 CG 27.7766 C 177.23 END_RES_DEF RES_ID 31 RES_TYPE VAL PREV_TYPE PRO(58.6) SPIN_SYSTEM_ID 44 HETEROGENEITY 100 HN 8.1946 N 112.6685 HA 3.552 CA 65.5995 HB 2.053 CB 31.4301 HG1#|HG2# 0.907 CG1|CG2 21.0767 HG2#|HG1# 0.907 CG2|CG1 22.2487 C 177.21 END_RES_DEF RES_ID 32 RES_TYPE VAL PREV_TYPE VAL(47.7) SPIN_SYSTEM_ID 32 HETEROGENEITY 100 HN 6.9603 N 120.1255 HA 3.700 CA 65.3800 HB 2.071 CB 31.8900 HG1#|HG2# 0.951 CG1|CG2 21.8895 HG2#|HG1# 0.951 CG2|CG1 22.8354 C 177.40 END_RES_DEF RES_ID 33 RES_TYPE ALA PREV_TYPE VAL(56.0) PRO(44.0) SPIN_SYSTEM_ID 29 HETEROGENEITY 100 HN 7.5781 N 121.0826 HA 3.911 CA 55.4434 HB# 1.586 CB 19.3770 C 178.65 END_RES_DEF RES_ID 34 RES_TYPE LYS PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 41 HETEROGENEITY 100 HN 8.4728 N 115.2281 HA 3.547 CA 60.6124 HB1|HB2 1.239 HB2|HB1 1.434 CB 32.6967 HG1|HG2 0.491 HG2|HG1 0.193 CG 25.5737 HD1|HD2 0.776 HD2|HD1 0.927 CD 29.5164 HE1|HE2 1.576 HE1|HE2 1.677 CE 41.1521 C 179.20 END_RES_DEF RES_ID 35 RES_TYPE GLU PREV_TYPE LYS(28.1) SPIN_SYSTEM_ID 31 HETEROGENEITY 100 HN 7.3227 N 119.1395 HA 4.047 CA 58.8170 HB2|HB1 2.178 HB1|HB2 2.070 CB 28.2522 HG1|HG2 2.485 HG2|HG1 2.313 CG 33.9640 C 178.92 END_RES_DEF RES_ID 36 RES_TYPE ILE PREV_TYPE GLU(100.0) SPIN_SYSTEM_ID 54 HETEROGENEITY 100 HN 8.1640 N 121.8900 HA 3.634 CA 65.3800 HB 1.910 CB 37.6400 HG11|HG12 HG11|HG12 1.836 CG1 28.7939 HG2# 0.641 CG2 18.0097 HD1# 0.659 CD1 14.9600 C 179.49 END_RES_DEF RES_ID 37 RES_TYPE VAL PREV_TYPE ILE(100.0) SPIN_SYSTEM_ID 39 HETEROGENEITY 100 HN 8.1976 N 117.6068 HA 3.842 CA 66.8365 HB 2.300 CB 31.7588 HG1#|HG2# 1.163 CG1|CG2 22.2811 HG2#|HG1# 1.098 C 177.42 END_RES_DEF RES_ID 38 RES_TYPE ALA PREV_TYPE VAL(37.5) SPIN_SYSTEM_ID 11 HETEROGENEITY 100 HN 8.0270 N 121.5629 HA 4.196 CA 54.9229 HB# 1.493 CB 18.4675 C 179.56 END_RES_DEF RES_ID 39 RES_TYPE SER PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 69 HETEROGENEITY 100 HN 7.6531 N 110.4255 HA 4.515 CA 58.6136 HB1|HB2 3.992 CB 64.2116 C 174.55 END_RES_DEF RES_ID 40 RES_TYPE CYS PREV_TYPE SER(100.0) SPIN_SYSTEM_ID 7 HETEROGENEITY 100 HN 7.4582 N 122.0432 HA 4.447 CA 57.6567 HB1|HB2 3.344 HB2|HB1 3.160 CB 39.9656 C 175.23 END_RES_DEF RES_ID 41 RES_TYPE ASP PREV_TYPEE CYS SPIN_SYSTEM_ID 5 HETEROGENEITY 100 HN 8.7722 N 122.3169 HA 4.587 CA 55.0914 HB1|HB2 2.849 CB 39.6894 C 176.20 END_RES_DEF RES_ID 42 RES_TYPE LYS PREV_TYPE ASP(39.0) SPIN_SYSTEM_ID 17 HETEROGENEITY 100 HN 8.0229 N 119.7575 HA 4.346 CA 56.9361 HB1|HB2 1.816 CB 32.9690 HG1|HG2 1.47 CD 29.1496 HD1|HD2 1.71 CG 24.9623 HE1|HE2 3.053 CE 42.5020 C 177.25 END_RES_DEF RES_ID 43 RES_TYPE CYS(32.7) PREV_TYPE LYS(33.2) SPIN_SYSTEM_ID 22 HETEROGENEITY 100 HN 8.2685 N 118.6700 HA 4.452 CA 59.4204 HB1|HB2 2.983 CB 28.0407 C 174.86 END_RES_DEF RES_ID 44 RES_TYPE GLN(19.6) PREV_TYPE CYS(32.4) SPIN_SYSTEM_ID 12 HETEROGENEITY 100 HN 8.3776 N 121.7013 HA 4.337 CA 56.0730 HB1|HB2 2.154 HB2|HB1 2.009 CB 29.3639 HG1|HG2 2.399 CG 33.9711 HE21|HE22 7.487 HE22|HE21 6.858 NE2 112.203 C 176.05 END_RES_DEF RES_ID 45 RES_TYPE LEU PREV_TYPE GLN(18.4) SPIN_SYSTEM_ID 9 HETEROGENEITY 100 HN 8.1721 N 122.6722 HA 4.335 CB 42.2828 HB1|HB2 1.596 HB2|HB1 1.656 CA 55.4300 HG 1.644 CG 27.0833 HD1#|HD2# 0.881 CD1|CD2 25.1955 HD2#|HD1# 0.851 CD2|CD1 23.5793 C 177.40 END_RES_DEF RES_ID 46 RES_TYPE LYS(32.8) PREV_TYPE LEU(44.4) SPIN_SYSTEM_ID 14 HETEROGENEITY 100 HN 8.2405 N 121.3878 HA 4.321 CA 56.6713 HB1|HB2 1.873 HB2|HB1 1.793 CB 33.0249 HG1|HG1 1.71 CG 24.9183 HD1|HD1 1.47 CD 29.2304 HE1|HE2 3.009 CE 42.3052 C 177.17 END_RES_DEF RES_ID 47 RES_TYPE GLY PREV_TYPE LYS(33.0) SPIN_SYSTEM_ID 47 HETEROGENEITY 100 HN 8.3482 N 109.3808 HA1|HA2 3.955 CA 45.6324 C 174.33 END_RES_DEF RES_ID 48 RES_TYPE GLU PREV_TYPE GLY(100.0) SPIN_SYSTEM_ID 16 HETEROGENEITY 100 HN 8.1911 N 120.0971 HA 4.292 CA 56.4428 HB1|HB2 1.977 HB2|HB1 2.101 CB 29.8249 HG* 2.362 CG 34.8068 C 176.25 END_RES_DEF RES_ID 49 RES_TYPE ALA PREV_TYPE GLU(19.9) SPIN_SYSTEM_ID 4 HETEROGENEITY 100 HN 8.2703 N 124.1188 HA 4.286 CA 52.7478 HB# 1.371 CB 19.2469 C 177.74 END_RES_DEF RES_ID 50 RES_TYPE MET PREV_TYPE ALA(100.0) SPIN_SYSTEM_ID 23 HETEROGENEITY 100 HN 8.1888 N 118.5380 HA 4.400 CA 55.6713 HB* 1.994 CB 32.7423 HG1|HG2 2.483 HG2|HG1 2.535 CG 32.1992 C 176.21 END_RES_DEF RES_ID 51 RES_TYPE HIS PREV_TYPE MET(23.6) SPIN_SYSTEM_ID 21 HETEROGENEITY 100 HN 8.4312 N 118.7389 HA 4.741 HB1|HB2 3.329 HB2|HB1 3.205 CB 29.1125 CA 55.4500 C 174.86 END_RES_DEF RES_ID 52 RES_TYPE GLY PREV_TYPE HIS SPIN_SYSTEM_ID 46 HETEROGENEITY 100 HN 8.4309 N 109.6085 HA* 3.971 CA 45.3903 C 173.78 END_RES_DEF RES_ID 53 RES_TYPE GLN PREV_TYPE GLY(100.0) SPIN_SYSTEM_ID 64 HETEROGENEITY 100 HN 8.2743 N 120.0100 HA 4.402 HB1|HB2 2.101 HB2|HB1 2.001 CB 29.7182 CA 55.8864 HG* 2.355 CG 33.8994 HE21|HE22 7.493 HE22|HE21 6.858 NE2 112.229 END_RES_DEF RES_ID 54 RES_TYPE VAL PREV_TYPE GLN(16.4) SPIN_SYSTEM_ID 15 HETEROGENEITY 100 HN 8.2176 N 120.8622 HA 4.187 CA 62.2558 HB 2.111 CB 33.0512 HG1#|HG2 0.932 CG1|CG2 21.3150 HG2#|HG1# 0.932 CG2|CG1 20.2826 C 175.08 END_RES_DEF RES_ID 55 RES_TYPE ASP PREV_TYPE VAL(53.1) SPIN_SYSTEM_ID 2 HETEROGENEITY 100 HN 8.0675 N 127.2313 HA 4.474 CA 54.7303 HB# 2.754 CB 40.9994 END_RES_DEF
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