============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 28 1.000 -21.571 74.817 14.395 -99.200 -91.000 TRP 29 1.040 -14.059 71.575 20.881 -99.200 -91.000 TRP6 29 1.020 -14.261 73.411 22.360 -99.200 -91.000 HIS 35 0.900 -3.452 67.129 7.113 -99.200 -91.000 PHE 42 1.000 -12.333 68.950 8.282 -99.200 -91.000 PHE 60 1.000 -8.522 55.840 13.326 -99.200 -91.000 PHE 63 1.000 -17.753 59.894 6.952 -99.200 -91.000 HIS 73 0.900 -10.943 56.716 17.283 -99.200 -91.000 TYR 80 0.840 -19.956 61.193 11.625 -99.200 -91.000 HIS 92 0.900 -23.904 67.984 24.695 -99.200 -91.000 HIS 94 0.900 -19.224 69.646 20.008 -99.200 -91.000 PHE 97 1.000 -18.546 66.779 7.656 -99.200 -91.000 PHE 99 1.000 -24.206 65.491 2.843 -99.200 -91.000 TYR 107 0.840 -18.115 63.760 15.658 -99.200 -91.000 PHE 113 1.000 -12.545 62.594 25.765 -99.200 -91.000 HIS 117 0.900 -6.165 63.024 11.889 -99.200 -91.000 TYR 119 0.840 -3.902 62.955 6.110 -99.200 -91.000 PHE 142 1.000 -5.530 39.034 15.564 -99.200 -91.000 PHE 171 1.000 -10.396 42.353 19.345 -99.200 -91.000 TYR 175 0.840 -16.889 44.174 21.543 -99.200 -91.000 PHE 181 1.000 -15.907 34.257 31.131 -99.200 -91.000 HIS 203 0.900 -6.641 34.121 15.446 -99.200 -91.000 TYR 224 0.840 -23.360 51.105 19.012 -99.200 -91.000 PHE 234 1.000 -21.258 40.245 21.844 -99.200 -91.000 HIS 236 0.900 -29.683 42.358 26.061 -99.200 -91.000 HIS 237 0.900 -25.942 37.261 22.867 -99.200 -91.000 TYR 239 0.840 -19.791 34.303 28.164 -99.200 -91.000 TYR 241 0.840 -17.763 46.986 29.689 -99.200 -91.000 HIS 266 0.900 -15.628 45.361 33.718 -99.200 -91.000 TYR 267 0.840 -10.408 39.769 37.791 -99.200 -91.000