============================================================================= 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. PHE 7 1.000 63.782 -0.241 42.694 -99.200 -91.000 HIS 17 0.900 57.337 -0.527 34.613 -99.200 -91.000 TRP 22 1.040 68.513 0.798 38.376 -99.200 -91.000 TRP6 22 1.020 69.896 -0.484 39.814 -99.200 -91.000 PHE 43 1.000 60.840 -13.119 41.831 -99.200 -91.000 PHE 48 1.000 64.630 -10.462 38.385 -99.200 -91.000 HIS 49 0.900 66.330 -17.675 35.869 -99.200 -91.000 TYR 53 0.840 71.845 -9.352 37.025 -99.200 -91.000 HIS 54 0.900 73.015 -17.508 38.882 -99.200 -91.000 PHE 57 1.000 61.736 -17.277 43.089 -99.200 -91.000 PHE 79 1.000 63.356 -19.008 50.893 -99.200 -91.000 TYR 105 0.840 58.412 -4.506 53.723 -99.200 -91.000 PHE 110 1.000 47.359 1.370 61.589 -99.200 -91.000 TYR 117 0.840 56.260 1.665 67.172 -99.200 -91.000 TYR 119 0.840 55.295 -9.424 64.226 -99.200 -91.000 TRP 123 1.040 60.224 -9.340 61.994 -99.200 -91.000 TRP6 123 1.020 62.009 -8.846 60.514 -99.200 -91.000 TYR 128 0.840 71.312 -7.228 69.821 -99.200 -91.000 HIS 129 0.900 68.401 -11.234 71.412 -99.200 -91.000 TYR 130 0.840 68.785 -14.621 61.271 -99.200 -91.000 PHE 137 1.000 78.565 -8.105 63.271 -99.200 -91.000 PHE 140 1.000 85.314 -8.681 52.452 -99.200 -91.000 TRP 143 1.040 69.990 -5.924 57.894 -99.200 -91.000 TRP6 143 1.020 70.005 -4.547 59.825 -99.200 -91.000 HIS 157 0.900 59.046 15.282 55.149 -99.200 -91.000 HIS 165 0.900 55.451 7.853 59.705 -99.200 -91.000 PHE 167 1.000 62.978 11.013 63.191 -99.200 -91.000 HIS 168 0.900 57.720 6.244 69.361 -99.200 -91.000 TYR 175 0.840 68.164 0.595 61.332 -99.200 -91.000 PHE 183 1.000 75.166 -5.928 60.499 -99.200 -91.000 HIS 191 0.900 77.419 10.906 49.313 -99.200 -91.000 TYR 197 0.840 65.051 13.298 52.153 -99.200 -91.000 PHE 199 1.000 57.995 6.523 50.869 -99.200 -91.000 TYR 200 0.840 61.971 11.848 47.171 -99.200 -91.000 TYR 202 0.840 53.782 5.180 44.130 -99.200 -91.000 TRP 214 1.040 59.223 9.684 54.975 -99.200 -91.000 TRP6 214 1.020 58.966 9.205 57.276 -99.200 -91.000 TYR 233 0.840 75.399 5.496 42.983 -99.200 -91.000 HIS 247 0.900 60.561 2.500 49.590 -99.200 -91.000 PHE 254 1.000 80.459 -2.330 49.685 -99.200 -91.000