============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. HIS 11 0.900 14.502 62.189 37.312 -99.200 -91.000 TYR 34 0.840 8.580 46.260 19.940 -99.200 -91.000 TRP 35 1.040 14.234 47.470 27.003 -99.200 -91.000 TRP6 35 1.020 14.037 48.939 28.847 -99.200 -91.000 TYR 36 0.840 11.803 52.313 19.950 -99.200 -91.000 PHE 46 1.000 14.271 47.676 17.707 -99.200 -91.000 HIS 49 0.900 9.939 42.695 19.201 -99.200 -91.000 TYR 50 0.840 14.427 41.146 25.161 -99.200 -91.000 TYR 51 0.840 4.802 37.661 21.409 -99.200 -91.000 PHE 65 1.000 24.169 50.731 25.974 -99.200 -91.000 PHE 70 1.000 14.120 39.111 34.361 -99.200 -91.000 HIS 74 0.900 10.755 41.960 35.568 -99.200 -91.000 TYR 90 0.840 19.409 54.833 27.888 -99.200 -91.000 PHE 91 1.000 11.163 58.108 26.585 -99.200 -91.000 PHE 102 1.000 -1.181 51.830 23.215 -99.200 -91.000 PHE 103 1.000 7.280 54.445 22.541 -99.200 -91.000 PHE 119 1.000 28.129 71.253 45.339 -99.200 -91.000 PHE 126 1.000 13.414 85.159 46.498 -99.200 -91.000 HIS 135 0.900 -0.465 98.672 37.866 -99.200 -91.000 PHE 148 1.000 19.047 72.807 40.009 -99.200 -91.000 TYR 149 0.840 26.835 68.986 37.414 -99.200 -91.000 HIS 152 0.900 18.622 63.648 36.200 -99.200 -91.000 TRP 157 1.040 4.714 76.918 42.526 -99.200 -91.000 TRP6 157 1.020 5.378 78.487 44.163 -99.200 -91.000 TRP 158 1.040 3.469 70.248 46.907 -99.200 -91.000 TRP6 158 1.020 2.208 68.250 47.001 -99.200 -91.000 HIS 165 0.900 -0.406 70.390 38.356 -99.200 -91.000 TYR 186 0.840 22.375 72.606 35.040 -99.200 -91.000 PHE 198 1.000 -5.934 80.913 47.890 -99.200 -91.000 TRP 199 1.040 0.018 87.751 49.859 -99.200 -91.000 TRP6 199 1.020 1.615 86.135 50.514 -99.200 -91.000 HIS 205 0.900 1.974 75.969 54.272 -99.200 -91.000 PHE 206 1.000 -0.251 80.934 49.122 -99.200 -91.000 PHE 212 1.000 20.055 66.907 43.641 -99.200 -91.000 TYR 213 0.840 14.193 62.366 41.127 -99.200 -91.000 TRP 221 1.040 29.785 62.823 50.105 -99.200 -91.000 TRP6 221 1.020 29.904 63.655 47.893 -99.200 -91.000 TRP 238 1.040 2.434 79.806 57.406 -99.200 -91.000 TRP6 238 1.020 0.394 78.628 57.629 -99.200 -91.000