============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 16 1.000 17.586 20.802 50.464 -99.200 -91.000 TYR 26 0.840 28.338 15.322 59.752 -99.200 -91.000 TYR 28 0.840 32.794 14.513 50.747 -99.200 -91.000 PHE 29 1.000 34.561 15.598 58.030 -99.200 -91.000 PHE 38 1.000 40.410 5.621 64.896 -99.200 -91.000 PHE 45 1.000 32.714 11.290 61.107 -99.200 -91.000 HIS 55 0.900 18.422 15.914 60.926 -99.200 -91.000 PHE 60 1.000 13.648 19.738 47.776 -99.200 -91.000 PHE 62 1.000 7.784 21.412 56.838 -99.200 -91.000 PHE 74 1.000 26.252 27.215 53.648 -99.200 -91.000 HIS 83 0.900 40.814 14.435 68.603 -99.200 -91.000 HIS 94 0.900 27.812 24.036 71.106 -99.200 -91.000 HIS 95 0.900 25.987 28.395 64.124 -99.200 -91.000 TYR 97 0.840 23.509 21.328 70.652 -99.200 -91.000 TYR 101 0.840 18.287 23.119 62.347 -99.200 -91.000 PHE 104 1.000 17.502 29.223 60.372 -99.200 -91.000 TYR 113 0.840 5.068 30.518 58.057 -99.200 -91.000 PHE 120 1.000 13.358 25.561 60.858 -99.200 -91.000 PHE 129 1.000 22.808 9.999 70.791 -99.200 -91.000 HIS 130 0.900 23.025 13.674 64.023 -99.200 -91.000 PHE 134 1.000 29.575 13.458 64.443 -99.200 -91.000 PHE 137 1.000 32.030 6.828 68.568 -99.200 -91.000 PHE 147 1.000 40.202 0.216 67.782 -99.200 -91.000 TRP 155 1.040 36.937 -5.104 73.927 -99.200 -91.000 TRP6 155 1.020 37.166 -2.798 73.454 -99.200 -91.000 TYR 162 0.840 35.764 -13.932 68.670 -99.200 -91.000 HIS 164 0.900 39.306 -10.449 73.011 -99.200 -91.000 HIS 178 0.900 37.768 -8.920 57.515 -99.200 -91.000 HIS 182 0.900 36.698 -4.463 59.922 -99.200 -91.000 PHE 183 1.000 37.352 -7.403 67.307 -99.200 -91.000 TRP 190 1.040 18.570 -6.482 72.481 -99.200 -91.000 TRP6 190 1.020 20.516 -6.076 71.202 -99.200 -91.000