============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 8.361 6.279 18.215 -99.200 -91.000 TRP6 14 1.020 7.064 8.134 18.865 -99.200 -91.000 PHE 19 1.000 12.667 -5.636 2.784 -99.200 -91.000 TRP 37 1.040 22.997 10.173 13.672 -99.200 -91.000 TRP6 37 1.020 24.933 8.832 13.646 -99.200 -91.000 HIS 43 0.900 19.258 -9.248 19.284 -99.200 -91.000 TYR 47 0.840 23.550 -14.434 19.002 -99.200 -91.000 TRP 49 1.040 21.714 -18.338 16.441 -99.200 -91.000 TRP6 49 1.020 19.847 -16.998 16.964 -99.200 -91.000 PHE 53 1.000 22.066 -9.693 8.498 -99.200 -91.000 HIS 65 0.900 -0.991 0.451 10.164 -99.200 -91.000 TYR 70 0.840 7.298 1.378 -2.145 -99.200 -91.000 TYR 84 0.840 29.051 4.967 13.290 -99.200 -91.000 HIS 86 0.900 28.903 0.067 24.306 -99.200 -91.000 TYR 89 0.840 26.189 -7.550 20.481 -99.200 -91.000 TRP 91 1.040 29.851 -11.308 19.959 -99.200 -91.000 TRP6 91 1.020 30.642 -13.500 19.621 -99.200 -91.000 PHE 110 1.000 12.399 14.157 11.372 -99.200 -91.000 TYR 113 0.840 1.119 9.023 7.389 -99.200 -91.000 HIS 115 0.900 7.974 14.129 14.946 -99.200 -91.000 TYR 132 0.840 5.666 4.865 37.781 -99.200 -91.000 TRP 139 1.040 5.332 -4.092 11.115 -99.200 -91.000 TRP6 139 1.020 6.831 -2.282 11.164 -99.200 -91.000 PHE 176 1.000 13.125 -1.698 30.573 -99.200 -91.000 TYR 180 0.840 -0.032 -6.552 32.197 -99.200 -91.000 PHE 199 1.000 9.161 -0.501 28.207 -99.200 -91.000 PHE 205 1.000 7.176 14.076 35.181 -99.200 -91.000 TRP 209 1.040 4.098 9.102 23.204 -99.200 -91.000 TRP6 209 1.020 3.437 7.090 24.241 -99.200 -91.000 TYR 210 0.840 11.287 11.951 27.186 -99.200 -91.000 TRP 217 1.040 18.162 -10.652 27.031 -99.200 -91.000 TRP6 217 1.020 17.473 -11.986 28.839 -99.200 -91.000 TYR 227 0.840 8.055 -11.324 34.742 -99.200 -91.000 PHE 229 1.000 15.069 -10.168 31.441 -99.200 -91.000 TYR 230 0.840 11.332 -4.831 26.740 -99.200 -91.000 HIS 232 0.900 18.338 1.988 32.077 -99.200 -91.000 PHE 234 1.000 20.233 8.175 32.404 -99.200 -91.000 TRP 239 1.040 28.754 3.597 22.038 -99.200 -91.000 TRP6 239 1.020 27.064 2.642 20.707 -99.200 -91.000 PHE 247 1.000 32.298 8.511 14.336 -99.200 -91.000