============================================================================= 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. TYR 6 0.840 25.812 15.039 100.895 -99.200 -91.000 TRP 8 1.040 30.687 20.717 93.543 -99.200 -91.000 TRP6 8 1.020 29.932 21.546 91.453 -99.200 -91.000 PHE 21 1.000 21.326 5.564 86.203 -99.200 -91.000 TYR 34 0.840 32.202 -11.431 95.521 -99.200 -91.000 TYR 35 0.840 37.985 -7.726 94.891 -99.200 -91.000 HIS 41 0.900 40.222 -3.073 90.926 -99.200 -91.000 PHE 63 1.000 33.888 -8.237 92.077 -99.200 -91.000 HIS 71 0.900 17.651 -8.834 96.907 -99.200 -91.000 HIS 77 0.900 13.102 -4.466 91.264 -99.200 -91.000 TYR 81 0.840 18.317 2.364 82.997 -99.200 -91.000 PHE 83 1.000 22.735 7.470 92.171 -99.200 -91.000 TRP 85 1.040 27.281 9.371 94.978 -99.200 -91.000 TRP6 85 1.020 28.716 10.562 93.517 -99.200 -91.000 TYR 89 0.840 37.994 1.172 102.167 -99.200 -91.000 PHE 91 1.000 47.455 -3.266 102.995 -99.200 -91.000 HIS 92 0.900 48.974 2.172 96.132 -99.200 -91.000 TYR 105 0.840 44.101 1.956 104.246 -99.200 -91.000 TRP 114 1.040 26.677 -1.829 89.078 -99.200 -91.000 TRP6 114 1.020 27.044 -0.351 90.897 -99.200 -91.000 HIS 121 0.900 12.441 3.194 75.220 -99.200 -91.000 PHE 129 1.000 26.906 1.954 71.356 -99.200 -91.000 TYR 149 0.840 35.392 13.233 78.156 -99.200 -91.000 TYR 159 0.840 34.778 -2.652 82.936 -99.200 -91.000 PHE 175 1.000 32.212 4.037 78.482 -99.200 -91.000 PHE 186 1.000 28.985 -11.492 91.774 -99.200 -91.000 TYR 193 0.840 25.115 -3.053 78.678 -99.200 -91.000 PHE 194 1.000 31.080 -0.898 87.926 -99.200 -91.000 TRP 199 1.040 33.334 12.949 94.336 -99.200 -91.000 TRP6 199 1.020 31.891 13.850 92.684 -99.200 -91.000