============================================================================= 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. PHE 8 1.000 10.251 86.715 11.383 -99.200 -91.000 TYR 9 0.840 15.750 85.873 18.397 -99.200 -91.000 TYR 15 0.840 19.507 72.138 14.595 -99.200 -91.000 TRP 17 1.040 23.395 80.529 20.616 -99.200 -91.000 TRP6 17 1.020 24.377 79.103 22.236 -99.200 -91.000 PHE 20 1.000 21.860 86.030 18.164 -99.200 -91.000 TYR 26 0.840 29.430 85.823 7.051 -99.200 -91.000 TRP 30 1.040 27.930 88.711 3.813 -99.200 -91.000 TRP6 30 1.020 26.458 86.924 4.308 -99.200 -91.000 TYR 62 0.840 21.203 64.220 11.772 -99.200 -91.000 HIS 72 0.900 33.603 69.952 19.028 -99.200 -91.000 HIS 73 0.900 31.540 73.672 10.043 -99.200 -91.000 HIS 79 0.900 28.731 72.393 26.431 -99.200 -91.000 PHE 80 1.000 19.768 68.768 21.954 -99.200 -91.000 PHE 84 1.000 16.088 66.363 22.777 -99.200 -91.000 PHE 99 1.000 14.233 90.603 30.082 -99.200 -91.000 HIS 107 0.900 16.303 100.206 27.786 -99.200 -91.000 TRP 119 1.040 19.409 80.762 21.795 -99.200 -91.000 TRP6 119 1.020 19.306 82.552 20.248 -99.200 -91.000 TRP 123 1.040 19.064 75.687 23.675 -99.200 -91.000 TRP6 123 1.020 18.232 73.526 24.142 -99.200 -91.000 TYR 175 0.840 7.870 87.542 6.063 -99.200 -91.000 PHE 178 1.000 9.057 74.300 7.491 -99.200 -91.000 HIS 186 0.900 12.133 91.953 3.553 -99.200 -91.000 HIS 192 0.900 14.287 85.350 -2.876 -99.200 -91.000 PHE 195 1.000 13.491 74.896 8.990 -99.200 -91.000 HIS 205 0.900 23.720 82.186 -5.922 -99.200 -91.000 TRP 211 1.040 29.661 80.195 3.197 -99.200 -91.000 TRP6 211 1.020 28.429 80.829 5.115 -99.200 -91.000