============================================================================= 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 -19.485 12.708 -4.020 -99.200 -91.000 TRP6 14 1.020 -20.463 13.391 -6.070 -99.200 -91.000 PHE 19 1.000 -21.048 11.106 13.098 -99.200 -91.000 TRP 37 1.040 -21.396 -2.824 -1.623 -99.200 -91.000 TRP6 37 1.020 -20.027 -4.074 -0.145 -99.200 -91.000 HIS 43 0.900 -6.173 6.652 8.181 -99.200 -91.000 TYR 47 0.840 -2.106 3.610 13.459 -99.200 -91.000 TRP 49 1.040 -2.452 6.406 17.827 -99.200 -91.000 TRP6 49 1.020 -3.189 8.076 16.320 -99.200 -91.000 PHE 53 1.000 -13.441 2.217 15.931 -99.200 -91.000 HIS 65 0.900 -24.661 22.723 3.796 -99.200 -91.000 TYR 70 0.840 -32.165 14.829 12.371 -99.200 -91.000 TYR 84 0.840 -16.697 -7.146 3.227 -99.200 -91.000 HIS 86 0.900 -5.772 -4.606 -0.423 -99.200 -91.000 TYR 89 0.840 -4.263 -0.384 7.125 -99.200 -91.000 TRP 91 1.040 -1.417 -2.772 10.879 -99.200 -91.000 TRP6 91 1.020 -0.049 -2.910 12.806 -99.200 -91.000 PHE 110 1.000 -28.543 5.969 -4.837 -99.200 -91.000 TYR 113 0.840 -31.328 17.673 -0.032 -99.200 -91.000 HIS 115 0.900 -26.881 10.552 -7.875 -99.200 -91.000 TYR 132 0.840 -4.561 17.528 -15.716 -99.200 -91.000 TRP 139 1.040 -19.436 19.072 8.709 -99.200 -91.000 TRP6 139 1.020 -20.293 16.988 9.381 -99.200 -91.000 PHE 175 1.000 -3.975 10.838 -5.731 -99.200 -91.000 TYR 179 0.840 -3.455 25.108 -3.918 -99.200 -91.000 PHE 198 1.000 -7.619 14.680 -5.130 -99.200 -91.000 PHE 204 1.000 -14.873 11.950 -23.884 -99.200 -91.000 TRP 208 1.040 -18.728 16.234 -9.856 -99.200 -91.000 TRP6 208 1.020 -16.918 17.585 -9.165 -99.200 -91.000 TYR 209 0.840 -15.481 9.311 -13.775 -99.200 -91.000 TRP 216 1.040 -1.284 9.465 9.954 -99.200 -91.000 TRP6 216 1.020 -2.253 7.890 11.427 -99.200 -91.000 TYR 226 0.840 3.548 19.008 -1.134 -99.200 -91.000 PHE 228 1.000 2.327 10.952 0.808 -99.200 -91.000 TYR 229 0.840 -5.406 13.271 -1.057 -99.200 -91.000 HIS 231 0.900 -3.832 5.556 -8.775 -99.200 -91.000 PHE 233 1.000 -7.466 2.176 -13.257 -99.200 -91.000 TRP 238 1.040 -9.580 -5.558 -1.812 -99.200 -91.000 TRP6 238 1.020 -10.681 -3.869 -0.586 -99.200 -91.000 PHE 246 1.000 -17.268 -11.158 0.938 -99.200 -91.000