============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 3 0.840 1.085 37.393 -7.308 -99.200 -91.000 PHE 29 1.000 2.737 48.531 8.068 -99.200 -91.000 HIS 31 0.900 -0.171 38.746 2.919 -99.200 -91.000 PHE 35 1.000 5.652 31.929 -1.990 -99.200 -91.000 PHE 41 1.000 12.657 29.885 -8.835 -99.200 -91.000 HIS 50 0.900 9.476 36.110 -20.582 -99.200 -91.000 HIS 56 0.900 22.247 38.523 -17.580 -99.200 -91.000 TRP 60 1.040 24.968 45.246 -11.271 -99.200 -91.000 TRP6 60 1.020 23.203 46.490 -10.286 -99.200 -91.000 PHE 61 1.000 20.447 43.297 -6.650 -99.200 -91.000 TYR 70 0.840 26.505 41.331 -15.476 -99.200 -91.000 HIS 72 0.900 23.079 50.542 -19.628 -99.200 -91.000 TRP 79 1.040 18.756 48.337 -10.737 -99.200 -91.000 TRP6 79 1.020 18.475 49.471 -8.683 -99.200 -91.000 TRP 82 1.040 15.205 53.975 -11.040 -99.200 -91.000 TRP6 82 1.020 13.394 55.454 -10.720 -99.200 -91.000 TYR 93 0.840 18.311 46.490 -3.311 -99.200 -91.000 TRP 97 1.040 22.551 42.480 -0.734 -99.200 -91.000 TRP6 97 1.020 21.912 40.769 -2.241 -99.200 -91.000 TRP 100 1.040 27.259 48.759 6.850 -99.200 -91.000 TRP6 100 1.020 24.901 48.618 6.915 -99.200 -91.000 HIS 107 0.900 34.539 49.719 2.538 -99.200 -91.000 TRP 132 1.040 16.628 51.312 6.294 -99.200 -91.000 TRP6 132 1.020 15.263 51.857 4.434 -99.200 -91.000 HIS 146 0.900 15.359 43.781 -3.231 -99.200 -91.000 PHE 148 1.000 16.813 42.427 8.839 -99.200 -91.000 PHE 149 1.000 19.314 38.951 2.045 -99.200 -91.000 PHE 151 1.000 20.135 33.499 3.785 -99.200 -91.000 TYR 152 0.840 14.977 28.018 11.452 -99.200 -91.000 TYR 163 0.840 9.750 44.475 6.922 -99.200 -91.000 PHE 170 1.000 -0.286 43.157 -13.044 -99.200 -91.000 PHE 175 1.000 9.477 40.343 -13.126 -99.200 -91.000 TYR 180 0.840 15.752 38.827 -1.804 -99.200 -91.000 HIS 185 0.900 16.465 26.209 -5.274 -99.200 -91.000 PHE 198 1.000 11.347 34.524 -0.262 -99.200 -91.000 TRP 200 1.040 7.486 39.086 0.008 -99.200 -91.000 TRP6 200 1.020 5.520 40.294 0.510 -99.200 -91.000 HIS 206 0.900 2.262 49.546 -2.921 -99.200 -91.000 TYR 208 0.840 1.567 51.648 -7.802 -99.200 -91.000 HIS 211 0.900 -0.123 48.015 -11.931 -99.200 -91.000 HIS 216 0.900 -11.165 43.025 -10.606 -99.200 -91.000 PHE 239 1.000 30.943 36.458 -2.954 -99.200 -91.000 TYR 241 0.840 26.163 29.792 -8.182 -99.200 -91.000 PHE 243 1.000 21.010 34.628 -18.368 -99.200 -91.000 PHE 246 1.000 21.696 30.707 -11.563 -99.200 -91.000 TYR 251 0.840 6.921 30.017 -16.107 -99.200 -91.000 HIS 254 0.900 -3.520 30.427 -16.718 -99.200 -91.000