============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 23 0.840 -0.121 63.723 55.868 -99.200 -91.000 TYR 26 0.840 8.841 67.058 52.741 -99.200 -91.000 HIS 43 0.900 -0.144 59.654 67.231 -99.200 -91.000 TRP 47 1.040 -2.512 49.255 68.192 -99.200 -91.000 TRP6 47 1.020 -0.570 47.903 68.484 -99.200 -91.000 PHE 54 1.000 0.794 46.577 76.143 -99.200 -91.000 HIS 60 0.900 9.674 44.252 84.120 -99.200 -91.000 HIS 64 0.900 10.707 41.954 77.561 -99.200 -91.000 TRP 70 1.040 11.283 49.781 69.211 -99.200 -91.000 TRP6 70 1.020 12.126 51.194 67.502 -99.200 -91.000 TRP 80 1.040 -2.807 48.016 56.248 -99.200 -91.000 TRP6 80 1.020 -4.064 46.212 55.370 -99.200 -91.000 HIS 85 0.900 0.745 53.627 47.192 -99.200 -91.000 PHE 91 1.000 9.999 54.361 54.626 -99.200 -91.000 PHE 112 1.000 13.313 51.424 50.253 -99.200 -91.000 PHE 122 1.000 1.566 41.494 55.150 -99.200 -91.000 PHE 132 1.000 -2.106 46.254 59.589 -99.200 -91.000 TYR 146 0.840 7.978 31.863 74.070 -99.200 -91.000 PHE 148 1.000 7.236 38.846 79.769 -99.200 -91.000 HIS 161 0.900 -3.980 38.482 80.388 -99.200 -91.000 HIS 163 0.900 2.352 31.764 75.980 -99.200 -91.000 HIS 175 0.900 -15.676 34.991 63.499 -99.200 -91.000 HIS 188 0.900 -4.762 23.018 57.605 -99.200 -91.000 HIS 200 0.900 11.106 39.003 55.390 -99.200 -91.000 HIS 203 0.900 16.665 38.148 58.838 -99.200 -91.000 HIS 211 0.900 20.507 50.766 58.228 -99.200 -91.000 TYR 213 0.840 24.919 49.691 68.782 -99.200 -91.000 TYR 217 0.840 12.708 49.138 80.744 -99.200 -91.000 HIS 227 0.900 -1.225 62.865 84.810 -99.200 -91.000