============================================================================= 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. HIS 12 0.900 2.690 21.289 132.437 -99.200 -91.000 PHE 17 1.000 5.901 13.958 124.651 -99.200 -91.000 TYR 29 0.840 4.843 21.618 116.463 -99.200 -91.000 TYR 32 0.840 2.137 10.556 125.808 -99.200 -91.000 TRP 37 1.040 1.138 15.645 123.184 -99.200 -91.000 TRP6 37 1.020 0.478 16.044 125.419 -99.200 -91.000 TYR 53 0.840 12.551 17.553 130.584 -99.200 -91.000 TRP 56 1.040 7.449 17.322 125.135 -99.200 -91.000 TRP6 56 1.020 7.792 17.476 122.790 -99.200 -91.000 TYR 66 0.840 13.614 5.025 122.680 -99.200 -91.000 TYR 74 0.840 24.723 18.097 122.308 -99.200 -91.000 TYR 76 0.840 15.362 23.663 118.656 -99.200 -91.000 TYR 84 0.840 21.269 40.545 116.736 -99.200 -91.000 PHE 108 1.000 26.465 27.474 109.441 -99.200 -91.000 PHE 110 1.000 23.540 25.116 116.975 -99.200 -91.000 PHE 115 1.000 21.255 27.760 111.812 -99.200 -91.000 TYR 125 0.840 15.268 24.669 103.426 -99.200 -91.000 TYR 139 0.840 11.786 31.374 93.268 -99.200 -91.000 TYR 140 0.840 15.269 24.522 97.121 -99.200 -91.000 TYR 142 0.840 18.724 28.783 102.854 -99.200 -91.000 TYR 151 0.840 23.222 36.790 114.114 -99.200 -91.000 TYR 154 0.840 29.224 33.845 112.804 -99.200 -91.000 TRP 155 1.040 28.339 38.004 116.716 -99.200 -91.000 TRP6 155 1.020 26.492 38.964 117.860 -99.200 -91.000 PHE 159 1.000 27.506 27.628 115.519 -99.200 -91.000 PHE 164 1.000 33.515 31.575 109.660 -99.200 -91.000 HIS 165 0.900 33.681 23.837 105.519 -99.200 -91.000 PHE 168 1.000 29.035 23.203 92.036 -99.200 -91.000 PHE 173 1.000 30.807 21.768 104.221 -99.200 -91.000 TYR 177 0.840 28.106 25.016 120.920 -99.200 -91.000