============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 10 1.000 36.017 43.736 29.516 -99.200 -91.000 TRP 14 1.040 41.209 44.721 27.066 -99.200 -91.000 TRP6 14 1.020 41.345 43.237 28.906 -99.200 -91.000 PHE 22 1.000 43.361 34.261 34.478 -99.200 -91.000 HIS 23 0.900 43.647 31.016 29.732 -99.200 -91.000 HIS 26 0.900 47.082 33.431 37.820 -99.200 -91.000 HIS 46 0.900 28.054 38.421 37.205 -99.200 -91.000 HIS 55 0.900 25.837 55.744 46.660 -99.200 -91.000 TYR 56 0.840 26.771 51.171 40.209 -99.200 -91.000 TYR 58 0.840 27.723 41.817 47.736 -99.200 -91.000 HIS 83 0.900 32.660 67.490 4.038 -99.200 -91.000 TYR 84 0.840 34.754 61.177 6.410 -99.200 -91.000 PHE 86 1.000 29.122 62.591 13.790 -99.200 -91.000 TRP 96 1.040 27.141 59.542 17.460 -99.200 -91.000 TRP6 96 1.020 29.398 59.937 16.876 -99.200 -91.000 PHE 99 1.000 32.772 63.837 18.546 -99.200 -91.000 TYR 107 0.840 23.057 61.626 14.149 -99.200 -91.000 HIS 108 0.900 25.108 53.291 8.326 -99.200 -91.000 PHE 112 1.000 25.333 48.941 13.400 -99.200 -91.000 HIS 114 0.900 24.965 44.497 22.203 -99.200 -91.000 PHE 115 1.000 30.535 51.205 23.141 -99.200 -91.000 TYR 116 0.840 29.169 42.380 18.761 -99.200 -91.000 PHE 133 1.000 37.967 48.941 28.000 -99.200 -91.000 PHE 136 1.000 45.430 42.548 19.049 -99.200 -91.000 HIS 145 0.900 42.086 58.492 18.722 -99.200 -91.000 HIS 152 0.900 37.727 62.394 29.383 -99.200 -91.000 TYR 155 0.840 26.976 55.299 30.980 -99.200 -91.000 TYR 157 0.840 33.474 49.585 30.046 -99.200 -91.000 TYR 158 0.840 31.548 50.751 38.432 -99.200 -91.000 PHE 164 1.000 28.819 31.789 45.151 -99.200 -91.000 PHE 174 1.000 39.181 37.158 34.292 -99.200 -91.000 HIS 175 0.900 38.469 42.665 40.724 -99.200 -91.000 TRP 177 1.040 45.412 39.219 33.400 -99.200 -91.000 TRP6 177 1.020 43.598 39.181 31.888 -99.200 -91.000