============================================================================= 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 14 1.000 17.163 66.263 -30.324 -99.200 -91.000 HIS 17 0.900 14.352 67.360 -22.799 -99.200 -91.000 TRP 21 1.040 24.169 57.404 -20.404 -99.200 -91.000 TRP6 21 1.020 26.420 57.241 -21.103 -99.200 -91.000 PHE 38 1.000 38.717 59.151 -12.231 -99.200 -91.000 TYR 57 0.840 18.588 71.067 -12.405 -99.200 -91.000 PHE 58 1.000 25.806 66.685 -13.337 -99.200 -91.000 TYR 59 0.840 19.843 62.110 -5.243 -99.200 -91.000 TYR 75 0.840 37.132 76.276 -13.504 -99.200 -91.000 PHE 86 1.000 20.620 61.333 -35.500 -99.200 -91.000 HIS 90 0.900 19.570 58.875 -39.741 -99.200 -91.000 PHE 92 1.000 24.523 60.169 -39.788 -99.200 -91.000 HIS 101 0.900 31.400 64.644 -30.226 -99.200 -91.000 HIS 119 0.900 8.704 67.039 -11.600 -99.200 -91.000 PHE 122 1.000 14.813 61.782 -6.483 -99.200 -91.000 HIS 125 0.900 18.475 59.269 -14.605 -99.200 -91.000 TRP 130 1.040 20.292 55.452 -6.581 -99.200 -91.000 TRP6 130 1.020 21.483 57.118 -7.809 -99.200 -91.000 HIS 134 0.900 25.689 54.842 0.170 -99.200 -91.000 TRP 136 1.040 22.375 59.080 -2.313 -99.200 -91.000 TRP6 136 1.020 23.823 58.512 -4.124 -99.200 -91.000 PHE 137 1.000 26.517 66.584 -3.282 -99.200 -91.000 PHE 138 1.000 18.054 66.375 -5.451 -99.200 -91.000 TRP 147 1.040 34.589 74.011 -27.360 -99.200 -91.000 TRP6 147 1.020 34.695 74.101 -24.998 -99.200 -91.000 TYR 151 0.840 27.735 69.714 -42.605 -99.200 -91.000 PHE 152 1.000 31.087 66.191 -42.896 -99.200 -91.000 TYR 163 0.840 22.684 74.763 -23.212 -99.200 -91.000 TYR 164 0.840 21.297 77.716 -19.564 -99.200 -91.000