# Assignment Table: pixj_pb.tbl01 # Path: # User: cclaudia # Date: 2/26/2010 SHIFT_FL_FRMT RES_SIAD FIRST_RES_IN_SEQ 1 EXP_PEAK_PICK_TBL Label Exp Par Fl Peak-Pick Fl #-Cross-Ref RES_ID 1 RES_TYPE MET SPIN_SYSTEM_ID 1 HETEROGENEITY 100 C 173.374 CA 54.314 CB 32.536 CG 34.148 HA 4.824 HB1 1.793 HB2 1.88 HG1 2.141 HG2 2.071 END_RES_DEF RES_ID 2 RES_TYPE ALA SPIN_SYSTEM_ID 2 HETEROGENEITY 100 CA 51.092 CB 21.474 HN 8.772 N 132.375 END_RES_DEF RES_ID 3 RES_TYPE ALA SPIN_SYSTEM_ID 3 HETEROGENEITY 100 C 177.537 CA 52.341 CB 19.209 HA 4.346 HB# 1.341 HN 8.18 #hcaconJ-corrected N 117.71 #hcaconJ-corrected END_RES_DEF RES_ID 4 RES_TYPE VAL SPIN_SYSTEM_ID 4 HETEROGENEITY 100 C 175.692 CA 62.172 CB 33.029 CG1 21.102 HA 4.045 HB 1.954 # HG1# 0.886 HG1# 0.90 HG2# 0.86 HN 8.191 N 120.378 END_RES_DEF RES_ID 5 RES_TYPE GLN SPIN_SYSTEM_ID 5 HETEROGENEITY 100 CA 54.855 CB 29.530 CG 33.5 HE21 7.52 HE22 6.86 # NE2 112.3 #hncacb,cbcaconh,hsqc NE2 112.7 #n15noesy HN 8.525 N 124.398 END_RES_DEF RES_ID 6 RES_TYPE LEU SPIN_SYSTEM_ID 6 HETEROGENEITY 100 END_RES_DEF RES_ID 7 RES_TYPE SER SPIN_SYSTEM_ID 7 HETEROGENEITY 100 # C 175.182 #wrong C 178.865 CA 60.402 CB 62.858 HA 4.074 HB1 3.964 HB2 3.793 END_RES_DEF RES_ID 8 RES_TYPE GLU SPIN_SYSTEM_ID 8 HETEROGENEITY 100 C 176.654 CA 56.095 CB 30.278 CG 36.710 HA 4.309 HB1 2.154 HB2 1.99 HG1 2.199 HN 7.847 N 119.935 END_RES_DEF RES_ID 9 RES_TYPE LEU SPIN_SYSTEM_ID 9 HETEROGENEITY 100 CA 55.492 CB 43.512 HN 7.349 N 120.616 END_RES_DEF RES_ID 10 RES_TYPE ARG SPIN_SYSTEM_ID 10 HETEROGENEITY 100 END_RES_DEF RES_ID 11 RES_TYPE ASP SPIN_SYSTEM_ID 11 HETEROGENEITY 100 END_RES_DEF RES_ID 12 RES_TYPE ARG SPIN_SYSTEM_ID 12 HETEROGENEITY 100 C 175.983 CA 60.018 CB 30.268 CD 43.5 CG 28.041 HA 3.274 HB1 1.526 HB2 1.394 HD1 3.13 # HG1 1.081 # HG2 0.679 HG1 1.33 HG2 1.081 HE 7.54 #arg-hnca END_RES_DEF RES_ID 13 RES_TYPE GLN SPIN_SYSTEM_ID 13 HETEROGENEITY 100 C 178.030 CA 58.764 CB 27.434 CG 33.207 HA 3.804 HB1 2.252 HB2 2.041 # HG1 2.526 HG1 2.56 HG2 2.51 HE21 8.26 HE22 7.11 # NE2 112.2 #hncacb,cbcaconh,hsqc NE2 112.6 #n15noesy HN 8.079 N 117.801 END_RES_DEF RES_ID 14 RES_TYPE ALA SPIN_SYSTEM_ID 14 HETEROGENEITY 100 C 181.577 CA 54.940 CB 18.705 HA 4.123 HB# 1.505 HN 7.914 N 120.194 END_RES_DEF RES_ID 15 RES_TYPE ILE SPIN_SYSTEM_ID 15 HETEROGENEITY 100 C 177.663 CA 65.907 # StdDev. for CB is 0.174 diff=0.328 # CB 37.100 # CB 37.367 # CB 37.039 CB 37.169 CD1 14.7 CG1 30.840 CG2 16.409 HA 3.445 HB 1.793 HG11 1.205 HG12 0.919 HG2# 0.618 HD1# 0.54 HN 7.663 N 120.712 END_RES_DEF RES_ID 16 RES_TYPE PHE SPIN_SYSTEM_ID 16 HETEROGENEITY 100 C 178.273 CA 58.956 CB 38.154 HA 4.311 HB1 3.313 HB2 2.991 CD1 129.6 #arom-c13noe HD1 6.95 CE1 131.5 #arom-c13noe HE1 7.09 #yama,arom-c13noe CZ 129.8 #arom-c13noe HZ 7.11 #arom-c13noe HN 8.077 N 119.033 END_RES_DEF RES_ID 17 RES_TYPE GLU SPIN_SYSTEM_ID 17 HETEROGENEITY 100 # C 170.940 #wrong C 179.822 CA 58.472 CB 28.797 CG 35.503 HA 4.399 HB1 1.961 HB2 2.17 #n15noe HG1 2.78 #n15noe HG2 2.56 #n15noe HN 8.746 N 115.469 END_RES_DEF RES_ID 18 RES_TYPE THR SPIN_SYSTEM_ID 18 HETEROGENEITY 100 C 175.802 CA 66.959 CB 68.289 CG2 21.727 HA 4.067 HB 4.136 HG2# 1.168 HN 8.139 N 117.987 END_RES_DEF RES_ID 19 RES_TYPE LEU SPIN_SYSTEM_ID 19 HETEROGENEITY 100 C 179.377 CA 58.858 CB 42.709 CD1 25.788 CD2 24.830 CG 26.5 HA 3.874 HB1 1.902 # StdDev. for HB2 is 0.015 diff=0.021 # HB2 1.419 # HB2 1.398 HB2 1.409 # HD1# 0.751 HD1# 0.76 HD2# 0.73 # HG 2.252 HG 1.77 HN 8.608 N 122.061 END_RES_DEF RES_ID 20 RES_TYPE VAL SPIN_SYSTEM_ID 20 HETEROGENEITY 100 C 177.414 CA 64.624 CB 29.895 CG1 24.798 CG2 20.496 HA 3.973 HB 1.999 HG1# 0.812 HG2# 1.052 HN 7.783 N 108.293 END_RES_DEF RES_ID 21 RES_TYPE ALA SPIN_SYSTEM_ID 21 HETEROGENEITY 100 C 181.177 CA 55.144 CB 18.558 HA 4.291 HB# 1.601 HN 7.477 N 124.901 END_RES_DEF RES_ID 22 RES_TYPE LYS SPIN_SYSTEM_ID 22 HETEROGENEITY 100 C 180.027 CA 58.274 CB 31.673 CD 28.501 CE 42.072 CG 25.218 HA 4.194 HB1 2.017 HB2 1.864 HD1 1.67 HE1 2.98 HE2 2.92 HG1 1.612 HN 8.835 N 118.438 END_RES_DEF RES_ID 23 RES_TYPE GLY SPIN_SYSTEM_ID 23 HETEROGENEITY 100 C 173.706 CA 47.992 HA1 3.813 HA2 3.617 HN 8.765 N 108.035 END_RES_DEF RES_ID 24 RES_TYPE ARG SPIN_SYSTEM_ID 24 HETEROGENEITY 100 C 178.863 CA 60.572 CB 30.407 # CG 29.2 #tocsy? CG 30.4 #30.2arg-hncacb CD 43.740 HA 4.080 HB1 1.64 HB2 1.51 HD1 2.88 HG1 2.17 HG2 1.75 HE 7.40 ##arg-n15noe,arg-hnca NE 82.8 ##arg-n15noe HN 8.272 N 122.460 END_RES_DEF RES_ID 25 RES_TYPE GLU SPIN_SYSTEM_ID 25 HETEROGENEITY 100 C 178.778 CA 59.023 CB 30.241 CG 36.218 HA 4.096 HB1 2.191 HG1 2.400 HG2 2.23 HN 7.894 N 119.784 END_RES_DEF RES_ID 26 RES_TYPE LEU SPIN_SYSTEM_ID 26 HETEROGENEITY 100 C 178.457 CA 57.869 CB 42.922 CD1 25.343 CD2 24.222 CG 26.897 HA 4.171 HB1 1.915 # StdDev. for HB2 is 0.044 diff=0.062 # HB2 1.774 # HB2 1.712 HB2 1.743 HD1# 0.965 HD2# 0.91 HG 1.84 HN 8.328 N 119.313 END_RES_DEF RES_ID 27 RES_TYPE LEU SPIN_SYSTEM_ID 27 HETEROGENEITY 100 C 176.795 CA 54.643 CB 43.897 CD1 22.510 CG 26.861 HA 4.380 HB1 1.825 HB2 1.357 HD1# 0.693 # HD2# -0.034 HG -0.042 HN 7.424 N 113.192 END_RES_DEF RES_ID 28 RES_TYPE ALA SPIN_SYSTEM_ID 28 HETEROGENEITY 100 C 177.051 CA 52.975 CB 16.514 HA 4.244 HB# 1.462 HN 8.573 N 124.175 END_RES_DEF RES_ID 29 RES_TYPE CYS SPIN_SYSTEM_ID 29 HETEROGENEITY 100 C 172.935 CA 54.876 CB 29.887 HA 5.592 HB1 3.714 HB2 2.564 HN 7.000 N 111.282 END_RES_DEF RES_ID 30 RES_TYPE ASP SPIN_SYSTEM_ID 30 HETEROGENEITY 100 C 175.463 CA 57.972 CB 42.753 HA 4.834 HB1 2.062 HB2 1.892 HN 7.265 N 117.373 END_RES_DEF RES_ID 31 RES_TYPE ARG SPIN_SYSTEM_ID 31 HETEROGENEITY 100 C 174.652 CA 55.593 CB 35.294 CD 43.7 CG 30.144 HA 5.511 HB1 1.948 HB2 1.836 HD1 3.70 HG1 1.86 HG2 1.36 HE 6.36 ##arg-n15noe,hsqc NE 83.2 ##arg-n15noe,hsqc HH11 9.54 ##arg-n15noe,hsqc HH12 5.64 ##arg-n15noe,hsqc NH1 74.1 ##arg-n15noe,hsqc HH21 8.88 ##arg-n15noe,hsqc HH22 7.00 ##arg-n15noe,hsqc NH2 73.2 ##arg-n15noe,hsqc HN 8.099 N 117.328 END_RES_DEF RES_ID 32 RES_TYPE VAL SPIN_SYSTEM_ID 32 HETEROGENEITY 100 C 174.538 CA 61.684 CB 35.157 # CG1 23.175 CG1 22.8 CG2 23.3 HA 5.182 HB 2.129 HG1# 1.047 HG2# 0.761 HN 9.215 N 127.029 END_RES_DEF RES_ID 33 RES_TYPE ILE SPIN_SYSTEM_ID 33 HETEROGENEITY 100 C 174.436 CA 58.897 CB 41.973 CD1 13.910 CG1 25.565 CG2 18.590 HA 5.269 HB 1.925 HD1# 0.58 HG11 1.257 HG2# 0.765 HN 9.051 N 118.191 END_RES_DEF RES_ID 34 RES_TYPE VAL SPIN_SYSTEM_ID 34 HETEROGENEITY 100 C 173.040 CA 62.382 CB 33.016 CG1 21.364 CG2 21.0 HA 4.218 HB 1.413 HG1# 0.726 HG2# 0.304 HN 7.266 N 119.036 END_RES_DEF RES_ID 35 RES_TYPE TYR SPIN_SYSTEM_ID 35 HETEROGENEITY 100 C 172.062 CA 54.971 CB 40.572 HA 4.634 # StdDev. for HA is 0.024 diff=0.034 # HA 4.651 # HA 4.617 HB1 2.649 HB2 2.067 CD1 132.2 HD1 6.13 CE1 118.0 #arom-c13noe HE1 6.37 # CE1 118.3 #equal-conf,arom-c13noe # HE1 6.40 equal-conf,arom-c13noe HN 8.796 N 131.813 END_RES_DEF RES_ID 36 RES_TYPE ALA SPIN_SYSTEM_ID 36 HETEROGENEITY 100 C 176.605 CA 50.931 CB 21.945 HA 3.810 HB# 0.786 HN 8.423 N 127.309 END_RES_DEF RES_ID 37 RES_TYPE PHE SPIN_SYSTEM_ID 37 HETEROGENEITY 100 C 176.576 CA 57.430 CB 41.434 HA 4.635 HB1 2.970 HB2 2.482 CD1 130.1 #arom-c13noe,tocsy HD1 6.51 #yama,arom-c13noe,tocsy # CD1 130.3 #minor,arom-c13noe # HD1 6.59 #minor,arom-c13noe CE1 131.3 #arom-c13noe,tocsy HE1 6.63 #yama,arom-c13noe,tocsy # CE1 131.2 #minor,arom-c13noe # HE1 6.77 #minor,arom-c13noe CZ 128.2 #conf,arom-c13noe HZ 5.69 #conf,arom-c13noe #arom-c13noe,tocsy # CZ 128.2 #arom-c13noe # HZ 5.91 #arom-c13noe,tocsy HN 7.687 N 119.567 END_RES_DEF RES_ID 38 RES_TYPE ASP SPIN_SYSTEM_ID 38 HETEROGENEITY 100 C 178.481 CA 51.837 CB 40.950 HA 4.699 HB1 3.200 HB2 2.638 HN 7.829 N 120.914 END_RES_DEF RES_ID 39 RES_TYPE ASP SPIN_SYSTEM_ID 39 HETEROGENEITY 100 C 176.022 CA 56.052 CB 40.144 HA 4.018 # HB1 2.552 HB1 2.57 HB2 2.52 HN 8.138 N 115.889 END_RES_DEF RES_ID 40 RES_TYPE ASN SPIN_SYSTEM_ID 40 HETEROGENEITY 100 C 174.155 CA 52.052 CB 39.733 HA 4.954 HB1 2.869 HB2 2.526 HD21 7.77 HD22 6.81 # ND2 113.4 #hncacb,cbcaconh ND2 113.8 #n15noesy HN 8.076 N 116.903 END_RES_DEF RES_ID 41 RES_TYPE TYR SPIN_SYSTEM_ID 41 HETEROGENEITY 100 C 175.377 CA 61.891 CB 34.352 HA 3.249 HB1 2.752 HB2 2.513 CD1 131.9 #arom-c13noe,tocsy HD1 5.95 #arom-c13noe,tocsy CE1 118.5 #arom-c13noe,tocsy HE1 6.62 #arom-c13noe HN 7.785 N 112.788 END_RES_DEF RES_ID 42 RES_TYPE VAL SPIN_SYSTEM_ID 42 HETEROGENEITY 100 CA 63.699 CB 30.721 CG1 21.1 HA 4.01 HB 2.24 HG1# 0.87 HG2# 0.69 HN 8.666 N 122.718 END_RES_DEF RES_ID 43 RES_TYPE GLY SPIN_SYSTEM_ID 43 HETEROGENEITY 100 C 170.959 CA 43.674 HA1 4.191 END_RES_DEF RES_ID 44 RES_TYPE THR SPIN_SYSTEM_ID 44 HETEROGENEITY 100 C 174.282 CA 61.142 CB 70.941 CG2 20.627 HA 4.931 HB 3.520 HG2# 0.820 HN 8.150 N 118.003 END_RES_DEF RES_ID 45 RES_TYPE VAL SPIN_SYSTEM_ID 45 HETEROGENEITY 100 C 175.472 CA 62.066 CB 29.572 CG1 22.325 CG2 20.864 HA 4.552 HB 2.515 HG1# 0.763 HG2# 0.968 HN 8.740 N 126.802 END_RES_DEF RES_ID 46 RES_TYPE VAL SPIN_SYSTEM_ID 46 HETEROGENEITY 100 C 175.653 CA 62.168 CB 32.041 CG1 22.063 CG2 19.229 HA 4.394 HB 2.285 HG1# 0.745 HG2# 0.264 HN 7.753 N 122.729 END_RES_DEF RES_ID 47 RES_TYPE ALA SPIN_SYSTEM_ID 47 HETEROGENEITY 100 C 174.317 CA 52.144 CB 23.434 HA 4.493 HB# 1.228 HN 7.366 N 117.768 END_RES_DEF RES_ID 48 RES_TYPE GLU SPIN_SYSTEM_ID 48 HETEROGENEITY 100 C 173.452 CA 55.216 CB 36.288 CG 37.512 HA 5.143 HB1 1.97 HB2 1.63 HG1 1.857 HN 8.455 N 122.294 END_RES_DEF RES_ID 49 RES_TYPE SER SPIN_SYSTEM_ID 49 HETEROGENEITY 100 C 173.417 CA 56.576 CB 63.836 HA 4.910 HB1 3.592 HN 8.867 N 121.014 END_RES_DEF RES_ID 50 RES_TYPE VAL SPIN_SYSTEM_ID 50 HETEROGENEITY 100 C 172.729 CA 58.657 CB 35.971 CG1 21.585 CG2 18.830 HA 5.361 HB 2.077 HG1# 1.402 HG2# 1.000 HN 9.143 N 128.791 END_RES_DEF RES_ID 51 RES_TYPE ALA SPIN_SYSTEM_ID 51 HETEROGENEITY 100 C 176.732 CA 52.231 CB 20.053 HA 4.373 HB# 1.837 HN 8.632 N 129.671 END_RES_DEF RES_ID 52 RES_TYPE GLU SPIN_SYSTEM_ID 52 HETEROGENEITY 100 C 177.151 CA 58.179 CB 29.797 CG 36.265 HA 4.028 HB1 1.996 HB2 1.929 HG1 2.295 HN 8.558 N 120.434 END_RES_DEF RES_ID 53 RES_TYPE GLY SPIN_SYSTEM_ID 53 HETEROGENEITY 100 C 174.073 CA 44.681 HA1 3.860 HA2 3.401 HN 8.539 N 110.914 END_RES_DEF RES_ID 54 RES_TYPE TRP SPIN_SYSTEM_ID 54 HETEROGENEITY 100 CA 53.659 CB 29.487 HA 5.29 HB1 3.12 HB2 2.91 CD1 128.3 #arom-c13noe HD1 7.14 #yama,arom-c13noe,c13hsqc # CD1 127.9 #minor,arom-c13noe # HD1 7.10 #minor,arom-c13noe,c13hsqc CE3 120.1 #arom-c13noe HE3 7.41 #arom-c13noe CZ2 115.1 #arom-c13noe HZ2 7.43 #arom-c13noe CZ3 122.0 #arom-c13noe HZ3 7.02 #arom-c13noe CH2 124.5 #hsqc, arom-c13noe HH2 7.10 #arom-c13noe NE1 127.7 #n15hsqc,n15noe HE1 9.91 #n15hsqc,n15noe,arom-c13noe HN 7.009 N 119.508 END_RES_DEF RES_ID 55 RES_TYPE PRO SPIN_SYSTEM_ID 55 HETEROGENEITY 100 C 175.722 CA 63.259 CB 33.238 CG 28.171 HA 4.426 HB1 2.518 HB2 1.722 HG1 2.30 HG2 2.21 END_RES_DEF RES_ID 56 RES_TYPE GLN SPIN_SYSTEM_ID 56 HETEROGENEITY 100 C 176.405 CA 55.688 CB 29.565 CG 34.632 HA 4.936 HB1 2.17 HB2 2.02 # HG1 2.851 HG1 2.48 HG2 2.313 HE21 7.70 HE22 6.89 # NE2 112.0 #hncacb,cbcaconh,hsqc NE2 112.4 #n15noesy HN 8.646 N 121.488 END_RES_DEF RES_ID 57 RES_TYPE ALA SPIN_SYSTEM_ID 57 HETEROGENEITY 100 C 176.317 CA 51.289 CB 20.581 HA 4.34 HB# 1.293 HN 11.964 N 133.617 END_RES_DEF RES_ID 58 RES_TYPE ARG SPIN_SYSTEM_ID 58 HETEROGENEITY 100 C 175.502 CA 59.200 CB 30.648 CD 43.1 CG 27.962 HA 3.300 # HB1 1.206 HB1 1.59 HB2 2.12 HD1 3.37 HG1 1.616 HG2 1.17 HE 7.82 ##arg-n15noe,arg-hnca NE 85.4 ##arg-n15noe HN 8.235 N 119.720 END_RES_DEF RES_ID 59 RES_TYPE ASP SPIN_SYSTEM_ID 59 HETEROGENEITY 100 C 175.557 CA 57.148 CB 39.031 HA 4.141 HB1 3.175 HB2 2.807 HN 9.023 N 119.936 END_RES_DEF RES_ID 60 RES_TYPE GLN SPIN_SYSTEM_ID 60 HETEROGENEITY 100 C 174.993 CA 57.475 CB 28.866 CG 34.773 HA 4.147 HB1 2.132 HB2 1.961 HG1 2.381 HG2 2.297 HE21 7.30 HE22 6.50 # NE2 109.7 #hncacb, cbcaconh,hsqc NE2 110.1 #n15noesy HN 8.200 N 119.954 END_RES_DEF RES_ID 61 RES_TYPE VAL SPIN_SYSTEM_ID 61 HETEROGENEITY 100 C 177.060 CA 61.871 CB 32.575 CG1 20.863 CG2 20.8 HA 4.593 HB 1.907 HG1# 0.953 HG2# 0.723 HN 8.379 N 124.202 END_RES_DEF RES_ID 62 RES_TYPE ILE SPIN_SYSTEM_ID 62 HETEROGENEITY 100 C 174.634 CA 60.464 CB 41.025 CD1 13.643 CG1 26.762 CG2 17.539 HA 4.433 HB 1.836 HD1# 0.81 # HG11 1.145 HG11 1.11 HG12 1.50 HG2# 0.850 HN 8.952 N 128.772 END_RES_DEF RES_ID 63 RES_TYPE GLU SPIN_SYSTEM_ID 63 HETEROGENEITY 100 C 174.015 CA 55.930 # StdDev. for CB is 0.229 diff=0.464 # CB 28.721 # CB 29.185 # CB 29.087 # CB 28.773 CB 28.942 CG 36.481 HA 4.598 HG1 2.137 HG2 2.010 HN 9.289 N 130.867 END_RES_DEF RES_ID 64 RES_TYPE ASP SPIN_SYSTEM_ID 64 HETEROGENEITY 100 CA 50.160 CB 43.965 HA 5.21 HB1 3.45 HB2 2.90 HN 9.437 N 130.401 END_RES_DEF RES_ID 65 RES_TYPE PRO SPIN_SYSTEM_ID 65 HETEROGENEITY 100 C 176.079 CA 63.617 # CB 33.096 CB 33.3 CD 51.643 CG 26.302 HA 4.359 HB1 2.239 HB2 1.894 HD1 3.64 HD2 3.61 HG1 1.80 HG2 1.54 END_RES_DEF RES_ID 66 RES_TYPE CYS SPIN_SYSTEM_ID 66 HETEROGENEITY 100 C 176.789 CA 58.195 CB 33.343 HA 4.147 HB1 3.198 HB2 2.415 HN 8.806 N 117.251 END_RES_DEF RES_ID 67 RES_TYPE PHE SPIN_SYSTEM_ID 67 HETEROGENEITY 100 C 176.529 CA 63.265 CB 37.239 HA 4.328 HB1 3.385 HB2 2.583 # HD1 7.25 #? CD1 133.2 #pvb_noe HD1 7.00 #pvb_noe CE1 129.8 #pvb_noe HE1 6.03 #pvb_noe HZ 6.27 #pvb_noe HN 6.799 N 118.785 END_RES_DEF RES_ID 68 RES_TYPE ARG SPIN_SYSTEM_ID 68 HETEROGENEITY 100 C 178.119 CA 58.495 CB 29.942 CD 43.566 CG 26.888 HA 3.692 HB1 1.982 HB2 1.748 HD1 3.31 HG1 1.73 HG2 1.47 HE 7.35 ##arg-n15noe,arg-hnca NE 84.5 ##arg-n15noe HN 9.000 N 118.755 END_RES_DEF RES_ID 69 RES_TYPE GLU SPIN_SYSTEM_ID 69 HETEROGENEITY 100 C 177.981 CA 58.920 CB 29.841 CG 36.805 HA 3.858 HB1 1.349 HB2 1.44 HG1 2.003 HG2 2.31 HN 7.849 N 115.895 END_RES_DEF RES_ID 70 RES_TYPE HIS SPIN_SYSTEM_ID 70 HETEROGENEITY 100 CA 55.904 CB 30.890 HA 4.71 HB1 2.43 HB2 1.79 CE1 137.1 #c13noe HE1 7.98 #c13noe # CE1 137.3 #minor conf,c13noe # HE1 8.03 #minor conf,c13noe # CD2 123.0 #arom-c13noe # HD2 6.60 #arom-c13noe # CD2 119.7 #arom-c13noe # HD2 6.84 #arom-c13noe HN 7.717 N 111.119 END_RES_DEF RES_ID 71 RES_TYPE TRP SPIN_SYSTEM_ID 71 HETEROGENEITY 100 C 176.398 CA 58.111 CB 34.294 HA 5.476 # HB1 3.244 HB1 4.21 HB2 3.082 CD1 127.9 #arom-c13noe HD1 6.94 #arom-c13noe CZ2 114.9 #arom-c13noe HZ2 7.30 #arom-c13noe CH2 124.3 #hsqc,arom-c13noe HH2 7.02 #arom-c13noe NE1 131.6 #n15hsqc,n15noe HE1 11.72 #arom-c13noe,n15hsqc,n15noe # CE3 123.0 #arom-c13noe # HE3 6.60 #arom-c13noe # CZ3 123.0 #arom-c13noe # HZ3 6.60 #arom-c13noe # CE3 119.7 #arom-c13noe # HE3 6.84 #arom-c13noe # CZ3 119.7 #arom-c13noe # HZ3 6.84 #arom-c13noe END_RES_DEF RES_ID 72 RES_TYPE VAL SPIN_SYSTEM_ID 72 HETEROGENEITY 100 C 177.163 CA 68.043 CB 31.127 CG1 21.076 CG2 20.9 HA 3.421 HB 1.681 HG1# 0.028 HG2# 0.575 HN 8.071 N 121.907 END_RES_DEF RES_ID 73 RES_TYPE GLU SPIN_SYSTEM_ID 73 HETEROGENEITY 100 C 178.314 CA 58.781 CB 28.631 CG 35.661 HA 4.130 # StdDev. for HB1 is 0.042 diff=0.059 # HB1 1.939 # HB1 1.880 HB1 1.909 HB2 1.888 HG1 2.253 HN 8.188 N 117.634 END_RES_DEF RES_ID 74 RES_TYPE ALA SPIN_SYSTEM_ID 74 HETEROGENEITY 100 C 181.963 CA 54.953 CB 18.558 HA 4.106 HB# 1.686 HN 7.996 N 120.830 END_RES_DEF RES_ID 75 RES_TYPE TYR SPIN_SYSTEM_ID 75 HETEROGENEITY 100 C 178.723 CA 64.148 CB 39.126 HA 4.362 HB1 2.976 HB2 2.93 CD1 132.8 #arom-c13noe HD1 7.22 #arom-c13noe,yama # HD1 7.28 #minor,arom-c13noe,yama # CD1 133.0 #cosy? # HD1 7.18 #cosy?,7.22yama,7.29yama CE1 119.9 #conf,arom-c13noe HE1 6.57 #conf,arom-c13noe,yama # CE1 120.1 #cosy # HE1 6.50 #cosy,6.56yama,6.58yama HN 8.665 N 118.238 END_RES_DEF RES_ID 76 RES_TYPE ARG SPIN_SYSTEM_ID 76 HETEROGENEITY 100 C 177.714 CA 59.679 CB 30.495 CD 43.408 CG 28.356 HA 3.905 HB1 2.131 HB2 1.978 # HD1 3.054 HD1 3.47 HD2 3.08 HG1 1.570 HE 7.55 ##arg-n15noe,arg-hnca NE 83.2 ##arg-n15noe # HE 7.66 #conf.,arg-n15noe # NE 83.2 #conf.,arg-n15noe HN 8.824 N 121.723 END_RES_DEF RES_ID 77 RES_TYPE GLN SPIN_SYSTEM_ID 77 HETEROGENEITY 100 C 176.403 CA 55.387 CB 28.792 CG 34.006 HA 4.332 HB1 2.464 HB2 1.948 HG1 2.558 HG2 2.367 HE21 7.53 HE22 6.76 # NE2 111.4 #hncacb, cbcaconh, hsqc NE2 111.8 #n15noesy HN 7.613 N 113.473 END_RES_DEF RES_ID 78 RES_TYPE GLY SPIN_SYSTEM_ID 78 HETEROGENEITY 100 C 174.133 CA 45.874 HA1 4.370 HA2 3.671 HN 7.867 N 106.968 END_RES_DEF RES_ID 79 RES_TYPE ARG SPIN_SYSTEM_ID 79 HETEROGENEITY 100 C 171.000 CA 58.285 CB 29.901 CG 27.976 HA 3.717 HB1 1.03 HB2 0.36 HG1 1.268 HG2 0.385 HN 7.858 N 123.761 END_RES_DEF RES_ID 80 RES_TYPE ILE SPIN_SYSTEM_ID 80 HETEROGENEITY 100 C 176.521 CA 59.199 CB 42.573 CD1 14.322 CG1 27.255 CG2 17.735 HA 4.859 HB 1.626 HD1# 0.89 HG11 1.850 HG12 1.129 HG2# 0.854 HN 7.180 N 119.641 END_RES_DEF RES_ID 81 RES_TYPE GLN SPIN_SYSTEM_ID 81 HETEROGENEITY 100 C 173.750 CA 54.255 CB 32.267 CG 33.671 HA 4.918 HB1 1.881 HB2 1.759 HG1 2.063 HE21 6.95 HE22 6.48 # NE2 110.7 #hncacb, cbcaconh NE2 111.1 #n15noesy HN 8.536 N 125.871 END_RES_DEF RES_ID 82 RES_TYPE ALA SPIN_SYSTEM_ID 82 HETEROGENEITY 100 C 175.742 CA 51.009 CB 21.245 HA 4.946 HB# 1.347 HN 8.865 N 133.952 END_RES_DEF RES_ID 83 RES_TYPE THR SPIN_SYSTEM_ID 83 HETEROGENEITY 100 C 174.487 CA 62.152 CB 69.678 CG2 22.281 HA 4.652 HB 4.345 HG2# 1.020 HN 9.368 N 121.442 END_RES_DEF RES_ID 84 RES_TYPE THR SPIN_SYSTEM_ID 84 HETEROGENEITY 100 C 173.054 CA 63.609 CB 69.408 CG2 22.254 HA 4.706 HB 3.959 HG2# 1.009 HN 8.829 N 126.491 END_RES_DEF RES_ID 85 RES_TYPE ASP SPIN_SYSTEM_ID 85 HETEROGENEITY 100 C 179.097 CA 52.164 CB 42.331 HA 5.022 # HB1 3.001 HB1 2.37 HB2 2.657 HN 7.272 N 113.706 END_RES_DEF RES_ID 86 RES_TYPE ILE SPIN_SYSTEM_ID 86 HETEROGENEITY 100 C 175.769 CA 63.545 CB 38.180 CD1 14.926 CG1 26.255 CG2 17.239 HA 3.636 HB 1.409 # HD1# 0.428 # HG2# 0.575 HD1# 0.27 HG2# 0.428 HG11 0.575 HN 8.916 N 123.327 END_RES_DEF RES_ID 87 RES_TYPE PHE SPIN_SYSTEM_ID 87 HETEROGENEITY 100 C 176.514 CA 58.401 CB 37.600 HA 4.517 HB1 3.398 HB2 3.011 CD1 131.4 #arom-c13noe HD1 7.26 #arom-c13noe,7.28yama,7.25yama? HE1 7.27 HN 8.154 N 117.344 END_RES_DEF RES_ID 88 RES_TYPE LYS SPIN_SYSTEM_ID 88 HETEROGENEITY 100 C 175.486 CA 54.831 CB 33.581 CD 29.254 CE 42.293 CG 25.084 HA 4.715 HB1 2.176 HB2 1.505 HD1 1.680 HD2 1.64 HE1 2.987 HG1 1.305 HN 7.634 N 120.351 END_RES_DEF RES_ID 89 RES_TYPE ALA SPIN_SYSTEM_ID 89 HETEROGENEITY 100 C 176.799 CA 51.980 CB 20.779 HA 4.561 HB# 1.290 HN 7.552 N 122.264 END_RES_DEF RES_ID 90 RES_TYPE GLY SPIN_SYSTEM_ID 90 HETEROGENEITY 100 C 175.260 CA 46.252 HA1 3.890 HA2 3.746 HN 8.499 N 110.102 END_RES_DEF RES_ID 91 RES_TYPE LEU SPIN_SYSTEM_ID 91 HETEROGENEITY 100 C 176.687 CA 54.291 CB 42.942 CD1 23.5 CD2 21.2 CG 26.3 HA 4.285 HB1 1.593 HB2 0.74 HD1# 0.248 HD2# 0.052 # HG 0.747 HG 1.22 HN 8.418 N 120.980 END_RES_DEF RES_ID 92 RES_TYPE THR SPIN_SYSTEM_ID 92 HETEROGENEITY 100 CA 60.231 CB 71.205 HA 4.42 #n15noesy, tocsy HG2# 1.36 #n15noesy, tocsy HN 6.149 N 107.429 END_RES_DEF RES_ID 93 RES_TYPE GLU SPIN_SYSTEM_ID 93 HETEROGENEITY 100 C 176.567 CA 57.220 CB 30.353 CG 36.281 HA 4.173 HB1 1.988 #corrected HG1 2.940 #corrected HG2 2.219 #corrected HN 7.29 #hcaconJ-corrected N 118.70 #hcaconJ-corrected END_RES_DEF RES_ID 94 RES_TYPE CYS SPIN_SYSTEM_ID 94 HETEROGENEITY 100 C 177.769 CA 61.379 CB 32.851 HA 4.139 HB1 3.084 HB2 2.62 HN 8.218 N 121.185 END_RES_DEF RES_ID 95 RES_TYPE HIS SPIN_SYSTEM_ID 95 HETEROGENEITY 100 C 177.832 CA 59.058 CB 28.841 HA 3.796 HB1 3.170 #?c13noe-B HD2 6.10 CE1 138.4 #c13noe HE1 7.70 #c13noe # CE1 138.2 #minor,c13noe # HE1 7.82 #minor,c13noe HN 7.333 N 117.000 END_RES_DEF RES_ID 96 RES_TYPE LEU SPIN_SYSTEM_ID 96 HETEROGENEITY 100 C 180.184 CA 58.223 CB 41.482 CD1 25.662 CD2 22.969 HA 3.792 # HB1 1.857 HB1 1.89 HB2 1.279 HD1# 0.840 HD2# 0.57 HG 1.59 HN 8.582 N 117.403 END_RES_DEF RES_ID 97 RES_TYPE ASN SPIN_SYSTEM_ID 97 HETEROGENEITY 100 C 177.023 CA 55.784 CB 38.017 HA 4.534 HB1 2.985 HB2 2.845 HD21 7.76 HD22 7.05 # ND2 112.5 #hncacb, cbcaconh, hsqc ND2 112.9 #n15noesy HN 9.226 N 118.149 END_RES_DEF RES_ID 98 RES_TYPE GLN SPIN_SYSTEM_ID 98 HETEROGENEITY 100 C 175.801 CA 57.008 CB 28.586 CG 33.783 HA 4.358 HB1 2.062 HB2 1.913 HG1 2.561 HG2 2.273 HE21 7.26 HE22 6.81 # NE2 112.0 #hncacb, cbcaconh, hsqc NE2 112.3 #n15noesy HN 7.290 N 115.619 END_RES_DEF RES_ID 99 RES_TYPE LEU SPIN_SYSTEM_ID 99 HETEROGENEITY 100 C 178.587 CA 55.568 CB 42.148 CD1 25.624 CD2 22.0 CG 27.0 HA 4.130 HB1 1.581 HB2 1.13 HD1# 0.632 HD2# 0.22 # HG 1.149 HG 1.54 HN 6.944 N 115.651 END_RES_DEF RES_ID 100 RES_TYPE ARG SPIN_SYSTEM_ID 100 HETEROGENEITY 100 CA 61.278 # CB 28.491 CB 28.8 CD 43.4 HA 4.31 HB1 1.87 HB2 1.72 HD1 3.27 HG1 1.97 # HE 7.55 #arg-hnca # HE 7.65 #arg-hnca HN 8.246 N 121.110 END_RES_DEF RES_ID 101 RES_TYPE PRO SPIN_SYSTEM_ID 101 HETEROGENEITY 100 C 177.119 CA 65.500 # StdDev. for CB is 0.240 diff=0.339 # CB 30.910 # CB 31.249 CB 31.079 CD 51.4 CG 28.353 HA 4.432 HB1 2.39 HB2 1.774 HD1 3.75 HD2 3.36 HG1 2.01 END_RES_DEF RES_ID 102 RES_TYPE LEU SPIN_SYSTEM_ID 102 HETEROGENEITY 100 C 176.839 CA 54.360 CB 42.962 CD1 25.865 CD2 22.906 HA 4.186 # HB1 1.666 HB1 1.70 HB2 1.32 HD1# 0.790 HD2# 0.70 HG 1.63 HN 6.908 N 113.140 END_RES_DEF RES_ID 103 RES_TYPE LYS SPIN_SYSTEM_ID 103 HETEROGENEITY 100 C 173.063 CA 57.573 CB 28.802 CD 29.1 CE 42.618 CG 25.556 HA 3.881 HB1 2.377 # StdDev. for HB2 is 0.021 diff=0.029 # HB2 2.043 # HB2 2.014 HB2 2.029 HD1 1.99 HD2 1.83 HE1 3.10 HE2 3.08 HG1 1.586 HG2 1.419 HN 8.120 N 114.250 END_RES_DEF RES_ID 104 RES_TYPE VAL SPIN_SYSTEM_ID 104 HETEROGENEITY 100 C 174.337 CA 64.525 CB 32.785 # CG1 21.497 CG1 21.6 CG2 21.3 HA 3.00 HB 1.40 HG1# 0.415 HG2# -0.069 HN 6.477 N 115.759 END_RES_DEF RES_ID 105 RES_TYPE ARG SPIN_SYSTEM_ID 105 HETEROGENEITY 100 C 173.662 CA 53.844 CB 31.242 CG 27.176 HA 4.457 HB1 1.444 HB2 1.272 HD1 3.04 HG1 1.28 HG2 1.13 HN 8.917 N 123.594 END_RES_DEF RES_ID 106 RES_TYPE ALA SPIN_SYSTEM_ID 106 HETEROGENEITY 100 C 176.608 CA 51.456 CB 25.134 HA 4.663 HB# 1.779 HN 8.338 N 123.107 END_RES_DEF RES_ID 107 RES_TYPE ASN SPIN_SYSTEM_ID 107 HETEROGENEITY 100 C 170.841 CA 52.258 CB 42.060 HA 6.00 HB1 3.06 HB2 2.84 # HB1 3.08 # HB2 2.98 HN 9.052 N 117.841 END_RES_DEF RES_ID 108 RES_TYPE LEU SPIN_SYSTEM_ID 108 HETEROGENEITY 100 C 173.345 CA 54.258 CB 43.282 CD1 24.104 # CD2 20.819 CD2 25.991 # CG 25.991 CG 27.4 # StdDev. for HA is 0.021 diff=0.029 # HA 4.681 # HA 4.652 HA 4.667 HB1 0.367 HB2 -0.73 HD1# 0.477 # HD2# 0.009 HD2# -0.03 HG 1.052 HN 8.163 N 123.199 END_RES_DEF RES_ID 109 RES_TYPE VAL SPIN_SYSTEM_ID 109 HETEROGENEITY 100 C 174.411 CA 62.112 CB 34.747 CG1 23.356 CG2 19.480 HA 4.428 HB 2.268 # HG1# 0.764 HG1# 0.74 HG2# 0.77 HN 8.881 N 128.390 END_RES_DEF RES_ID 110 RES_TYPE VAL SPIN_SYSTEM_ID 110 HETEROGENEITY 100 CA 56.783 CB 33.069 CG1 22.0 CG2 21.8 HA 5.36 HB 2.32 HG1# 1.03 HG2# 0.72 HN 8.456 N 118.758 END_RES_DEF RES_ID 111 RES_TYPE PRO SPIN_SYSTEM_ID 111 HETEROGENEITY 100 C 175.835 CA 62.909 CB 34.483 CD 49.868 CG 26.822 HA 4.832 HB1 2.187 HB2 1.836 HD1 3.77 HG1 2.61 HG2 2.22 END_RES_DEF RES_ID 112 RES_TYPE MET SPIN_SYSTEM_ID 112 HETEROGENEITY 100 C 173.982 CA 55.763 CB 35.394 CG 32.019 HA 4.372 HB1 2.105 HB2 1.661 # HG1 2.124 HG1 2.17 CE 16.1 HE# 1.73 HN 8.212 N 116.774 END_RES_DEF RES_ID 113 RES_TYPE VAL SPIN_SYSTEM_ID 113 HETEROGENEITY 100 C 174.789 CA 61.847 CB 33.092 CG1 22.255 CG2 20.698 HA 4.851 HB 2.059 HG1# 0.996 HG2# 0.844 HN 8.342 N 127.382 END_RES_DEF RES_ID 114 RES_TYPE ILE SPIN_SYSTEM_ID 114 HETEROGENEITY 100 C 176.127 CA 60.535 CB 41.569 CD1 15.183 CG1 27.601 CG2 16.897 HA 4.225 HB 1.613 HD1# 0.357 HG11 1.404 HG12 1.05 HG2# 0.647 HN 8.687 N 126.100 END_RES_DEF RES_ID 115 RES_TYPE ASP SPIN_SYSTEM_ID 115 HETEROGENEITY 100 C 175.231 CA 55.725 CB 39.705 HA 4.203 HB1 2.979 HB2 2.361 HN 10.386 N 132.060 END_RES_DEF RES_ID 116 RES_TYPE ASP SPIN_SYSTEM_ID 116 HETEROGENEITY 100 C 174.479 CA 55.744 CB 41.048 HA 4.109 HB1 2.966 HB2 2.665 HN 8.812 N 111.355 END_RES_DEF RES_ID 117 RES_TYPE GLN SPIN_SYSTEM_ID 117 HETEROGENEITY 100 C 174.762 CA 53.703 CB 31.687 CG 33.251 HA 4.582 # StdDev. for HB1 is 0.028 diff=0.039 # HB1 2.161 # HB1 2.200 HB1 2.180 HB2 1.965 # HG1 2.419 HG1 2.43 HG2 2.37 HE21 7.52 HE22 6.82 # NE2 112.0 #hncacb, cbcaconh NE2 112.5 #n15noesy HN 7.884 N 117.226 END_RES_DEF RES_ID 118 RES_TYPE LEU SPIN_SYSTEM_ID 118 HETEROGENEITY 100 C 174.041 CA 55.029 CB 42.361 CD1 24.556 CG 28.146 HA 4.590 HB1 2.281 HB2 1.103 HD1# 1.038 # HG 1.038 HG 1.00 HN 9.175 N 123.783 END_RES_DEF RES_ID 119 RES_TYPE PHE SPIN_SYSTEM_ID 119 HETEROGENEITY 100 C 176.063 CA 59.445 CB 41.069 HA 4.564 HB1 3.336 HB2 2.796 CD1 132.0 #arom-c13noe HD1 7.08 #arom-c13noe,yama CE1 130.5 #arom-c13noe HE1 7.02 #arom-c13noe,yama HN 8.925 N 132.161 END_RES_DEF RES_ID 120 RES_TYPE GLY SPIN_SYSTEM_ID 120 HETEROGENEITY 100 C 169.176 CA 45.906 HA1 3.805 HA2 3.557 HN 8.025 N 103.713 END_RES_DEF RES_ID 121 RES_TYPE LEU SPIN_SYSTEM_ID 121 HETEROGENEITY 100 C 174.008 CA 52.697 CB 44.641 CD1 22.293 CG 26.385 HA 4.872 # HB1 1.129 HB1 1.19 HB2 1.013 HD1# 0.124 HG 1.129 HN 8.738 N 117.457 END_RES_DEF RES_ID 122 RES_TYPE LEU SPIN_SYSTEM_ID 122 HETEROGENEITY 100 C 175.162 CA 53.922 CB 42.857 # CD1 26.115 # CD2 24.688 CD1 24.688 CD2 26.115 CG 27.3 HA 4.920 # StdDev. for HB1 is 0.014 diff=0.02 # HB1 1.563 # HB1 1.543 HB1 1.553 HB2 0.836 HD1# 0.612 HD2# -0.054 HG 1.16 HN 9.078 N 127.533 END_RES_DEF RES_ID 123 RES_TYPE ILE SPIN_SYSTEM_ID 123 HETEROGENEITY 100 C 174.056 CA 59.702 CB 41.568 CD1 12.2 CG1 26.950 CG2 17.027 HA 5.332 HB 1.173 HD1# 0.06 # HD1# 0.13 #exchange HG11 1.284 HG2# 0.53 # HG2# 0.586 #exchange HN 8.382 N 123.427 END_RES_DEF RES_ID 124 RES_TYPE ALA SPIN_SYSTEM_ID 124 HETEROGENEITY 100 C 176.892 CA 49.481 CB 22.936 HA 5.130 HB# 0.814 HN 9.245 N 129.153 END_RES_DEF RES_ID 125 RES_TYPE HIS SPIN_SYSTEM_ID 125 HETEROGENEITY 100 C 175.709 CA 52.575 CB 36.391 HA 5.879 HB1 3.210 HB2 2.666 HD2 7.24 CE1 135.2 #arom-c13noe HE1 7.11 #arom-c13noe HE2 12.36 #n15noe NE2 165.8 #n15noe HN 9.584 N 117.481 END_RES_DEF RES_ID 126 RES_TYPE GLN SPIN_SYSTEM_ID 126 HETEROGENEITY 100 C 174.647 CA 55.753 CB 30.350 CG 33.337 HA 4.604 HG1 2.376 HN 9.240 N 125.534 END_RES_DEF RES_ID 127 RES_TYPE ALA SPIN_SYSTEM_ID 127 HETEROGENEITY 100 C 177.707 CA 53.062 CB 19.238 HA 4.543 HB# -0.075 HN 11.446 N 135.281 END_RES_DEF RES_ID 128 RES_TYPE SER SPIN_SYSTEM_ID 128 HETEROGENEITY 100 C 174.538 CA 60.691 CB 63.729 # StdDev. for HA is 0.016 diff=0.023 # HA 4.160 # HA 4.137 HA 4.19 HB1 4.12 # HA 4.149 HN 8.106 N 110.784 END_RES_DEF RES_ID 129 RES_TYPE GLU SPIN_SYSTEM_ID 129 HETEROGENEITY 100 CA 53.779 CB 30.585 HN 7.380 N 118.812 END_RES_DEF RES_ID 130 RES_TYPE PRO SPIN_SYSTEM_ID 130 HETEROGENEITY 100 C 175.238 CA 62.733 CB 32.892 CD 50.4 CG 27.772 HA 4.290 HB1 2.123 HB2 1.683 HD1 3.64 HD2 3.43 HG1 1.96 HG2 1.74 END_RES_DEF RES_ID 131 RES_TYPE ARG SPIN_SYSTEM_ID 131 HETEROGENEITY 100 C 171.339 CA 55.522 CB 33.266 CD 42.883 CG 25.324 HA 3.949 HB1 0.873 HB2 0.570 # HD1 2.28 #wrong!!! # HD2 1.32 #wrong!!! # HG1 1.343 HG1 0.66 HG2 -0.29 HE 7.52 ##hncacb_arg,arg-n15noe,arg-hnca NE 87.7 ##hncacb_arg,arg-n15noe HH11 6.07 ##arg-n15noe NH1 69.3 ##arg-n15noe HH21 7.06 ##arg-n15noe NH2 71.0 ##arg-n15noe HN 8.106 N 121.705 END_RES_DEF RES_ID 132 RES_TYPE GLN SPIN_SYSTEM_ID 132 HETEROGENEITY 100 C 175.691 CA 53.655 CB 27.650 CG 33.611 HA 4.386 HB1 1.879 HB2 1.738 HG1 2.129 HG2 2.081 HE21 7.55 HE22 6.86 # NE2 112.3 #hncacb, cbcaconh NE2 112.7 #n15noesy HN 8.295 N 125.611 END_RES_DEF RES_ID 133 RES_TYPE TRP SPIN_SYSTEM_ID 133 HETEROGENEITY 100 C 176.089 CA 56.370 CB 28.641 HA 4.449 HB1 3.030 HB2 2.909 CD1 129.4 #arom-c13noe HD1 7.45 #yama,arom-c13noe # CE3 120.4 #arom-c13noe CE3 120.2 #arom-c13noe HE3 7.27 #arom-c13noe CZ2 116.8 #arom-c13noe HZ2 7.23 #arom-c13noe # CZ2 112.2 #minor,arom-c13noe # HZ2 6.72 #minor,arom-c13noe # CZ3 120.5 #arom-c13noe CZ3 120.7 #arom-c13noe HZ3 6.51 #arom-c13noe NE1 130.8 #n15hsqc,n15noe HE1 11.53 #n15hsqc,n15noe,arom-c13noe HN 7.899 N 132.619 # CH2 123.0 #arom-c13noe # HH2 6.60 #arom-c13noe # CH2 119.7 #arom-c13noe # HH2 6.84 #arom-c13noe END_RES_DEF RES_ID 134 RES_TYPE GLN SPIN_SYSTEM_ID 134 HETEROGENEITY 100 C 177.060 CA 54.712 CB 30.536 CG 33.940 HA 4.465 HB1 2.506 HB2 1.810 # HG1 2.476 HG1 2.51 HG2 2.47 HE21 7.29 HE22 6.90 # NE2 112.7 #hncacb, cbcaconh NE2 113.1 #n15noesy HN 9.714 N 124.398 END_RES_DEF RES_ID 135 RES_TYPE GLU SPIN_SYSTEM_ID 135 HETEROGENEITY 100 C 178.669 CA 61.261 CB 29.246 CG 36.746 HA 3.913 HB1 2.104 HG1 2.406 HG2 2.334 HN 9.197 N 124.299 END_RES_DEF RES_ID 136 RES_TYPE ILE SPIN_SYSTEM_ID 136 HETEROGENEITY 100 C 177.495 CA 63.396 CB 37.815 CD1 13.897 CG1 28.804 CG2 17.801 HA 4.217 HB 1.903 HG11 1.533 HG12 1.277 HD1# 0.94 HG2# 0.949 HN 8.482 N 115.325 END_RES_DEF RES_ID 137 RES_TYPE GLU SPIN_SYSTEM_ID 137 HETEROGENEITY 100 C 178.136 CA 58.734 CB 29.617 CG 36.848 HA 4.014 HB1 1.811 HG1 2.314 HN 6.700 N 121.151 END_RES_DEF RES_ID 138 RES_TYPE ILE SPIN_SYSTEM_ID 138 HETEROGENEITY 100 C 178.664 CA 66.463 CB 38.360 CD1 13.438 CG1 29.173 CG2 17.854 HA 3.450 HB 1.940 # HD1# 0.787 HD1# 0.73 HG11 1.76 HG2# 0.972 HN 8.122 N 119.835 END_RES_DEF RES_ID 139 RES_TYPE ASP SPIN_SYSTEM_ID 139 HETEROGENEITY 100 C 179.395 CA 57.846 CB 40.610 HA 4.372 HB1 2.832 HB2 2.732 HN 8.503 N 120.402 END_RES_DEF RES_ID 140 RES_TYPE GLN SPIN_SYSTEM_ID 140 HETEROGENEITY 100 C 179.163 CA 59.243 CB 29.668 CG 35.125 HA 4.147 HB1 2.288 HB2 2.099 HG1 2.852 HG2 2.418 HE21 7.24 HE22 6.73 # NE2 109.2 #hncacb, cbcaconh, hsqc NE2 109.6 #n15noesy HN 8.273 N 118.044 END_RES_DEF RES_ID 141 RES_TYPE PHE SPIN_SYSTEM_ID 141 HETEROGENEITY 100 C 177.052 CA 61.230 CB 40.614 HA 4.303 HB1 3.204 # StdDev. for HB2 is 0.020 diff=0.028 # HB2 2.980 # HB2 2.952 HB2 2.966 CD1 131.7 #arom-c13noe HD1 6.92 #yama,arom-c13noe CE1 130.7 #arom-c13noe HE1 6.94 #yama,arom-c13noe # HE1 6.40 #yama-Y35conf CZ 130.3 #arom-c13noe HZ 6.76 #arom-c13noe HN 8.962 N 124.363 END_RES_DEF RES_ID 142 RES_TYPE SER SPIN_SYSTEM_ID 142 HETEROGENEITY 100 C 177.332 # StdDev. for CA is 0.194 diff=0.435 # CA 61.616 # CA 61.803 # CA 61.528 # CA 61.963 CA 61.727 CB 62.752 HA 4.353 HB1 4.087 HN 8.880 N 113.474 END_RES_DEF RES_ID 143 RES_TYPE GLU SPIN_SYSTEM_ID 143 HETEROGENEITY 100 C 178.900 CA 59.404 CB 29.340 CG 36.366 HA 4.151 HB1 2.177 HB2 2.145 HG1 2.355 HN 8.251 N 122.935 END_RES_DEF RES_ID 144 RES_TYPE LEU SPIN_SYSTEM_ID 144 HETEROGENEITY 100 C 178.222 CA 58.316 CB 41.446 CD1 25.980 CD2 23.879 CG 26.8 HA 4.040 HB1 1.891 HB2 1.569 HD1# 0.878 HD2# 0.614 HG 1.35 HN 7.811 N 123.239 END_RES_DEF RES_ID 145 RES_TYPE ALA SPIN_SYSTEM_ID 145 HETEROGENEITY 100 C 180.552 CA 55.596 CB 19.404 HA 3.704 HB# 1.276 HN 7.636 N 120.107 END_RES_DEF RES_ID 146 RES_TYPE SER SPIN_SYSTEM_ID 146 HETEROGENEITY 100 C 177.418 # StdDev. for CA is 0.171 diff=0.332 # CA 61.703 # CA 61.608 # CA 61.940 CA 61.750 CB 62.688 HA 4.415 # HB1 4.061 HB1 4.08 HB2 4.02 HN 8.675 N 116.333 END_RES_DEF RES_ID 147 RES_TYPE THR SPIN_SYSTEM_ID 147 HETEROGENEITY 100 C 177.033 CA 66.835 CB 68.384 CG2 21.691 HA 4.001 HB 4.283 # HG2# 1.232 HG2# 1.21 HN 8.870 N 120.659 END_RES_DEF RES_ID 148 RES_TYPE GLY SPIN_SYSTEM_ID 148 HETEROGENEITY 100 C 174.221 CA 47.808 HA1 3.530 HN 8.687 N 108.168 END_RES_DEF RES_ID 149 RES_TYPE SER SPIN_SYSTEM_ID 149 HETEROGENEITY 100 C 174.830 CA 63.606 CB 62.564 HA 3.889 HB1 3.996 HB2 4.17 HN 8.314 N 118.111 END_RES_DEF RES_ID 150 RES_TYPE LEU SPIN_SYSTEM_ID 150 HETEROGENEITY 100 C 179.351 CA 58.109 CB 41.837 CD1 25.999 CD2 24.307 CG 27.8 HA 3.785 # HB1 1.131 # HD1# 0.459 # HG 1.891 HB1 1.89 HB2 1.131 HD1# 0.459 HD2# 0.48 HG 1.56 HN 7.841 N 122.532 END_RES_DEF RES_ID 151 RES_TYPE VAL SPIN_SYSTEM_ID 151 HETEROGENEITY 100 CA 59.949 CB 31.167 HN 8.789 N 122.455 END_RES_DEF RES_ID 152 RES_TYPE LEU SPIN_SYSTEM_ID 152 HETEROGENEITY 100 END_RES_DEF RES_ID 153 RES_TYPE GLU SPIN_SYSTEM_ID 153 HETEROGENEITY 100 END_RES_DEF RES_ID 154 RES_TYPE ARG SPIN_SYSTEM_ID 154 HETEROGENEITY 100 C 170.822 CA 58.211 CB 30.031 CG 28.307 # HA 3.693 # HB1 3.696 HA 3.694 END_RES_DEF RES_ID 155 RES_TYPE LEU SPIN_SYSTEM_ID 155 HETEROGENEITY 100 CA 58.995 CB 42.668 HN 7.100 N 118.579 END_RES_DEF RES_ID 156 RES_TYPE HIS SPIN_SYSTEM_ID 156 HETEROGENEITY 100 END_RES_DEF RES_ID 157 RES_TYPE PHE SPIN_SYSTEM_ID 157 HETEROGENEITY 100 C 176.850 CA 54.882 CB 41.019 #? END_RES_DEF RES_ID 158 RES_TYPE LEU SPIN_SYSTEM_ID 158 HETEROGENEITY 100 CA 55.891 CB 42.021 HN 8.147 N 122.944 END_RES_DEF RES_ID 159 RES_TYPE GLU SPIN_SYSTEM_ID 159 HETEROGENEITY 100 C 176.917 CA 57.437 CB 30.047 CG 36.517 HA 4.213 HB1 2.065 HB2 1.941 HG1 2.256 END_RES_DEF RES_ID 160 RES_TYPE GLN SPIN_SYSTEM_ID 160 HETEROGENEITY 100 CA 57.300 CB 30.196 HN 8.402 N 120.604 END_RES_DEF RES_ID 161 RES_TYPE THR SPIN_SYSTEM_ID 161 HETEROGENEITY 100 C 174.851 CA 62.959 CB 69.693 CG2 21.546 # HA 4.209 # HB 4.167 HA 4.167 HB 4.209 HG2# 1.127 END_RES_DEF RES_ID 162 RES_TYPE ILE SPIN_SYSTEM_ID 162 HETEROGENEITY 100 CA 61.524 CB 38.402 HN 8.028 N 123.158 END_RES_DEF RES_ID 163 RES_TYPE ALA SPIN_SYSTEM_ID 163 HETEROGENEITY 100 C 178.457 CA 53.569 CB 18.733 HA 4.18 HB# 1.396 END_RES_DEF RES_ID 164 RES_TYPE SER SPIN_SYSTEM_ID 164 HETEROGENEITY 100 C 174.913 CA 58.992 CB 63.550 # HB1 3.882 # HB2 3.868 HA 4.29 HB1 3.90 HB2 3.86 HN 7.946 N 113.507 END_RES_DEF RES_ID 165 RES_TYPE LEU SPIN_SYSTEM_ID 165 HETEROGENEITY 100 CA 55.774 CB 42.119 HN 7.901 N 122.847 END_RES_DEF RES_ID 166 RES_TYPE HIS SPIN_SYSTEM_ID 166 HETEROGENEITY 100 END_RES_DEF RES_ID 167 RES_TYPE HIS SPIN_SYSTEM_ID 167 HETEROGENEITY 100 END_RES_DEF RES_ID 168 RES_TYPE HIS SPIN_SYSTEM_ID 168 HETEROGENEITY 100 END_RES_DEF RES_ID 169 RES_TYPE HIS SPIN_SYSTEM_ID 169 HETEROGENEITY 100 END_RES_DEF RES_ID 170 RES_TYPE HIS SPIN_SYSTEM_ID 170 HETEROGENEITY 100 END_RES_DEF RES_ID 171 RES_TYPE HIS SPIN_SYSTEM_ID 171 HETEROGENEITY 100 END_RES_DEF