============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 3 0.840 73.590 -5.144 81.254 -99.200 -91.000 TRP 8 1.040 64.379 -15.347 87.122 -99.200 -91.000 TRP6 8 1.020 62.883 -13.931 85.979 -99.200 -91.000 HIS 9 0.900 60.859 -14.173 94.772 -99.200 -91.000 TYR 15 0.840 50.499 -22.711 85.483 -99.200 -91.000 TYR 20 0.840 53.093 -16.943 85.981 -99.200 -91.000 PHE 41 1.000 51.711 -24.287 69.964 -99.200 -91.000 TYR 57 0.840 42.656 -9.659 85.537 -99.200 -91.000 PHE 74 1.000 59.793 -18.308 71.624 -99.200 -91.000 HIS 79 0.900 44.453 -29.567 64.943 -99.200 -91.000 HIS 80 0.900 40.279 -25.425 70.828 -99.200 -91.000 PHE 86 1.000 49.996 -17.626 74.921 -99.200 -91.000 TYR 103 0.840 66.065 -25.700 65.550 -99.200 -91.000 HIS 109 0.900 58.922 -16.798 62.478 -99.200 -91.000 HIS 112 0.900 59.833 -14.009 66.529 -99.200 -91.000 PHE 124 1.000 64.466 -15.855 64.973 -99.200 -91.000 PHE 134 1.000 45.876 -21.977 55.496 -99.200 -91.000 TRP 138 1.040 46.696 -10.437 64.553 -99.200 -91.000 TRP6 138 1.020 45.473 -11.286 66.387 -99.200 -91.000 TYR 142 0.840 52.103 -7.788 64.321 -99.200 -91.000 TRP 155 1.040 53.720 -16.822 56.134 -99.200 -91.000 TRP6 155 1.020 52.987 -18.592 57.500 -99.200 -91.000 PHE 156 1.000 53.855 -17.200 48.630 -99.200 -91.000 TYR 161 0.840 64.482 -16.778 56.190 -99.200 -91.000 TRP 187 1.040 66.885 -4.777 75.216 -99.200 -91.000 TRP6 187 1.020 65.993 -4.233 73.102 -99.200 -91.000 PHE 224 1.000 35.697 11.543 80.645 -99.200 -91.000 TYR 225 0.840 35.091 5.271 84.059 -99.200 -91.000 PHE 236 1.000 25.065 7.212 94.146 -99.200 -91.000 PHE 244 1.000 29.474 15.852 82.875 -99.200 -91.000 PHE 247 1.000 34.215 19.192 84.990 -99.200 -91.000