============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 4 1.000 76.838 1.479 33.886 -99.200 -91.000 TYR 25 0.840 101.443 -13.841 31.371 -99.200 -91.000 TYR 28 0.840 95.821 -4.572 31.542 -99.200 -91.000 PHE 29 1.000 92.426 -4.253 39.146 -99.200 -91.000 HIS 31 0.900 87.700 1.268 40.164 -99.200 -91.000 PHE 39 1.000 85.396 -3.762 39.377 -99.200 -91.000 TYR 54 0.840 94.468 -9.058 27.457 -99.200 -91.000 PHE 64 1.000 83.932 -15.696 31.138 -99.200 -91.000 PHE 77 1.000 93.936 -8.148 19.946 -99.200 -91.000 PHE 80 1.000 84.557 -14.752 21.050 -99.200 -91.000 TYR 90 0.840 75.531 -28.237 15.814 -99.200 -91.000 TYR 106 0.840 95.028 -2.849 17.474 -99.200 -91.000 TRP 145 1.040 87.257 -6.288 8.248 -99.200 -91.000 TRP6 145 1.020 86.611 -4.113 7.645 -99.200 -91.000 HIS 157 0.900 88.119 2.252 9.647 -99.200 -91.000 TRP 163 1.040 101.098 21.697 12.760 -99.200 -91.000 TRP6 163 1.020 102.926 20.399 13.485 -99.200 -91.000 TYR 170 0.840 100.756 16.211 11.666 -99.200 -91.000 PHE 174 1.000 93.846 12.335 22.710 -99.200 -91.000 PHE 186 1.000 91.947 3.644 21.315 -99.200 -91.000 HIS 190 0.900 79.797 5.553 10.781 -99.200 -91.000 TYR 196 0.840 78.544 10.149 18.776 -99.200 -91.000 PHE 201 1.000 93.274 3.161 26.852 -99.200 -91.000 PHE 209 1.000 97.197 3.520 30.337 -99.200 -91.000 TYR 213 0.840 81.097 3.421 28.057 -99.200 -91.000 TYR 215 0.840 73.337 4.349 20.762 -99.200 -91.000 PHE 223 1.000 88.548 -3.598 31.180 -99.200 -91.000 PHE 230 1.000 96.869 -1.294 28.250 -99.200 -91.000