============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. TYR 6 0.840 -0.128 25.995 7.543 -99.200 -91.000 HIS 7 0.900 -1.518 32.036 14.111 -99.200 -91.000 HIS 11 0.900 -9.914 28.188 17.895 -99.200 -91.000 TYR 13 0.840 -6.036 18.088 14.833 -99.200 -91.000 TYR 27 0.840 -11.563 10.885 36.953 -99.200 -91.000 TRP 45 1.040 4.844 16.424 44.848 -99.200 -91.000 TRP6 45 1.020 5.028 14.672 43.276 -99.200 -91.000 TYR 53 0.840 13.281 18.225 38.943 -99.200 -91.000 HIS 61 0.900 -2.214 24.194 31.954 -99.200 -91.000 TYR 66 0.840 -0.046 13.282 28.840 -99.200 -91.000 PHE 70 1.000 -3.396 4.933 34.501 -99.200 -91.000 PHE 95 1.000 3.602 15.844 22.858 -99.200 -91.000 TYR 99 0.840 18.361 20.860 26.843 -99.200 -91.000 PHE 106 1.000 10.077 13.376 36.115 -99.200 -91.000 TYR 108 0.840 15.679 14.549 45.286 -99.200 -91.000 TYR 114 0.840 5.271 5.500 44.078 -99.200 -91.000 HIS 124 0.900 4.490 -1.420 28.606 -99.200 -91.000 PHE 132 1.000 2.739 3.945 22.876 -99.200 -91.000 PHE 142 1.000 -8.453 25.511 22.639 -99.200 -91.000 TYR 146 0.840 -9.169 31.640 23.753 -99.200 -91.000 PHE 147 1.000 -2.416 34.812 27.212 -99.200 -91.000 HIS 149 0.900 -7.935 37.193 18.499 -99.200 -91.000 PHE 163 1.000 -3.567 32.892 40.516 -99.200 -91.000 TYR 175 0.840 -12.876 25.405 37.614 -99.200 -91.000 TYR 178 0.840 -17.481 24.862 33.378 -99.200 -91.000 PHE 188 1.000 -7.669 37.372 26.661 -99.200 -91.000 HIS 189 0.900 -14.870 38.959 30.768 -99.200 -91.000 TYR 193 0.840 -14.819 43.516 34.865 -99.200 -91.000 TRP 200 1.040 -15.089 36.457 24.589 -99.200 -91.000 TRP6 200 1.020 -13.253 34.988 24.721 -99.200 -91.000 TYR 210 0.840 -16.139 28.762 23.100 -99.200 -91.000 HIS 223 0.900 -16.229 36.957 40.661 -99.200 -91.000 TYR 226 0.840 -8.704 36.475 40.799 -99.200 -91.000 HIS 232 0.900 -8.096 24.860 46.787 -99.200 -91.000 TYR 241 0.840 0.946 31.643 37.737 -99.200 -91.000 TYR 246 0.840 4.523 32.671 36.096 -99.200 -91.000 HIS 247 0.900 4.977 40.268 34.538 -99.200 -91.000