============================================================================= 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. TRP 14 1.040 22.427 28.721 25.640 -99.200 -91.000 TRP6 14 1.020 23.866 27.583 27.139 -99.200 -91.000 HIS 46 0.900 28.823 20.138 17.262 -99.200 -91.000 HIS 57 0.900 31.484 18.007 14.186 -99.200 -91.000 PHE 60 1.000 25.969 22.467 5.596 -99.200 -91.000 PHE 65 1.000 28.981 35.909 -1.666 -99.200 -91.000 PHE 83 1.000 31.130 29.358 18.526 -99.200 -91.000 TYR 86 0.840 29.596 34.380 19.623 -99.200 -91.000 PHE 87 1.000 25.148 40.159 14.179 -99.200 -91.000 HIS 94 0.900 27.568 20.025 12.416 -99.200 -91.000 TYR 97 0.840 27.020 6.814 9.528 -99.200 -91.000 PHE 136 1.000 34.458 21.128 -2.406 -99.200 -91.000 TYR 140 0.840 36.168 26.470 7.171 -99.200 -91.000 HIS 141 0.900 41.369 19.760 11.203 -99.200 -91.000 HIS 142 0.900 35.854 25.485 12.223 -99.200 -91.000 TRP 150 1.040 27.876 23.004 25.660 -99.200 -91.000 TRP6 150 1.020 27.014 20.895 24.992 -99.200 -91.000 HIS 153 0.900 38.795 18.750 15.923 -99.200 -91.000 TYR 157 0.840 33.054 18.379 2.369 -99.200 -91.000 TYR 179 0.840 20.585 39.071 1.744 -99.200 -91.000 TRP 186 1.040 38.208 45.587 6.043 -99.200 -91.000 TRP6 186 1.020 38.232 47.597 7.286 -99.200 -91.000 TRP 202 1.040 32.220 29.556 11.168 -99.200 -91.000 TRP6 202 1.020 31.702 28.906 13.398 -99.200 -91.000 PHE 210 1.000 39.382 29.829 1.792 -99.200 -91.000 TYR 212 0.840 37.855 40.529 3.129 -99.200 -91.000 TRP 214 1.040 36.911 32.668 -3.536 -99.200 -91.000 TRP6 214 1.020 35.683 31.220 -2.102 -99.200 -91.000 TRP 215 1.040 31.922 40.440 -2.381 -99.200 -91.000 TRP6 215 1.020 31.806 39.840 -0.105 -99.200 -91.000 HIS 217 0.900 37.699 37.825 -9.948 -99.200 -91.000 PHE 224 1.000 38.939 32.845 -7.506 -99.200 -91.000 HIS 228 0.900 41.964 15.610 -5.857 -99.200 -91.000 HIS 231 0.900 42.970 26.216 2.018 -99.200 -91.000