============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 2 0.900 65.896 88.748 40.966 -99.200 -91.000 HIS 22 0.900 67.318 68.031 45.720 -99.200 -91.000 TRP 32 1.040 66.306 86.095 38.141 -99.200 -91.000 TRP6 32 1.020 64.140 85.424 38.780 -99.200 -91.000 TYR 35 0.840 62.828 88.161 26.981 -99.200 -91.000 PHE 42 1.000 61.586 79.738 22.640 -99.200 -91.000 HIS 52 0.900 62.688 79.447 27.772 -99.200 -91.000 TRP 58 1.040 48.879 87.763 29.215 -99.200 -91.000 TRP6 58 1.020 47.659 85.740 29.206 -99.200 -91.000 PHE 62 1.000 55.821 83.360 16.321 -99.200 -91.000 PHE 75 1.000 52.631 78.099 27.760 -99.200 -91.000 PHE 81 1.000 57.545 79.389 27.520 -99.200 -91.000 TYR 92 0.840 63.781 76.814 22.110 -99.200 -91.000 HIS 105 0.900 64.767 83.111 29.790 -99.200 -91.000 PHE 111 1.000 64.984 69.832 35.790 -99.200 -91.000 PHE 129 1.000 54.830 57.859 35.130 -99.200 -91.000 HIS 131 0.900 49.941 68.083 37.496 -99.200 -91.000 HIS 133 0.900 47.472 57.367 36.749 -99.200 -91.000 PHE 154 1.000 42.312 82.687 31.128 -99.200 -91.000 TYR 172 0.840 44.429 96.657 21.607 -99.200 -91.000 PHE 190 1.000 36.347 88.762 28.047 -99.200 -91.000 HIS 204 0.900 42.677 97.257 33.216 -99.200 -91.000 TYR 216 0.840 28.237 83.917 35.789 -99.200 -91.000 TRP 225 1.040 25.311 84.183 39.963 -99.200 -91.000 TRP6 225 1.020 25.958 86.442 39.768 -99.200 -91.000