============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 12 1.000 11.059 56.369 51.178 -99.200 -91.000 TRP 14 1.040 15.748 54.316 47.250 -99.200 -91.000 TRP6 14 1.020 14.891 52.316 48.158 -99.200 -91.000 PHE 25 1.000 22.759 71.291 44.963 -99.200 -91.000 TRP 35 1.040 29.609 55.266 38.907 -99.200 -91.000 TRP6 35 1.020 29.986 57.179 37.588 -99.200 -91.000 HIS 41 0.900 16.811 70.756 37.751 -99.200 -91.000 HIS 56 0.900 15.094 60.115 59.766 -99.200 -91.000 HIS 63 0.900 26.674 59.117 65.990 -99.200 -91.000 HIS 76 0.900 21.172 61.766 27.570 -99.200 -91.000 HIS 77 0.900 24.204 61.378 24.954 -99.200 -91.000 TYR 79 0.840 20.187 69.614 31.412 -99.200 -91.000 TYR 85 0.840 14.840 72.955 33.552 -99.200 -91.000 HIS 87 0.900 16.984 64.161 25.896 -99.200 -91.000 TYR 103 0.840 20.350 52.778 59.383 -99.200 -91.000 TYR 114 0.840 9.674 43.084 33.020 -99.200 -91.000 PHE 118 1.000 9.081 46.481 37.394 -99.200 -91.000 PHE 121 1.000 3.568 47.021 37.454 -99.200 -91.000 TYR 125 0.840 5.139 54.914 48.119 -99.200 -91.000 TRP 129 1.040 16.164 65.598 53.876 -99.200 -91.000 TRP6 129 1.020 17.293 63.809 52.797 -99.200 -91.000 PHE 133 1.000 4.681 74.843 54.604 -99.200 -91.000 HIS 134 0.900 4.444 78.344 44.942 -99.200 -91.000 TYR 144 0.840 6.502 57.983 53.219 -99.200 -91.000 PHE 161 1.000 6.718 76.818 31.317 -99.200 -91.000 TYR 164 0.840 10.787 68.430 24.716 -99.200 -91.000 PHE 168 1.000 7.219 59.692 35.463 -99.200 -91.000 PHE 172 1.000 -2.333 62.480 45.251 -99.200 -91.000 HIS 173 0.900 -6.425 64.186 37.920 -99.200 -91.000 HIS 188 0.900 7.710 57.883 40.046 -99.200 -91.000 PHE 197 1.000 12.898 46.459 40.202 -99.200 -91.000 TRP 204 1.040 10.115 70.051 34.049 -99.200 -91.000 TRP6 204 1.020 8.256 71.229 33.182 -99.200 -91.000 TYR 214 0.840 -1.860 66.953 37.132 -99.200 -91.000 TYR 217 0.840 7.703 63.129 39.295 -99.200 -91.000 TYR 223 0.840 16.916 59.802 29.479 -99.200 -91.000 TRP 226 1.040 23.952 58.306 29.507 -99.200 -91.000 TRP6 226 1.020 23.343 59.412 31.486 -99.200 -91.000