============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 18 1.000 52.021 44.546 8.570 -99.200 -91.000 PHE 21 1.000 57.289 53.861 6.274 -99.200 -91.000 TYR 29 0.840 72.271 50.421 25.314 -99.200 -91.000 PHE 71 1.000 81.488 35.429 4.941 -99.200 -91.000 TYR 103 0.840 78.748 46.718 14.496 -99.200 -91.000 PHE 109 1.000 85.229 34.909 14.164 -99.200 -91.000 TYR 121 0.840 75.408 36.412 6.621 -99.200 -91.000 TYR 124 0.840 69.440 33.762 6.515 -99.200 -91.000 HIS 134 0.900 60.274 40.721 11.377 -99.200 -91.000 PHE 143 1.000 71.384 50.040 6.187 -99.200 -91.000 PHE 146 1.000 61.320 55.896 7.774 -99.200 -91.000 TYR 152 0.840 61.637 41.136 3.159 -99.200 -91.000 HIS 159 0.900 70.228 55.267 7.073 -99.200 -91.000 PHE 164 1.000 63.598 65.268 11.534 -99.200 -91.000 TYR 207 0.840 56.309 66.429 0.915 -99.200 -91.000 TYR 210 0.840 64.044 62.131 1.569 -99.200 -91.000 PHE 217 1.000 57.568 59.824 10.500 -99.200 -91.000 TYR 220 0.840 49.955 62.275 5.449 -99.200 -91.000 TYR 238 0.840 47.223 51.937 20.791 -99.200 -91.000 PHE 239 1.000 42.195 51.002 20.157 -99.200 -91.000 TYR 250 0.840 55.535 67.146 16.663 -99.200 -91.000 PHE 264 1.000 57.539 59.180 16.604 -99.200 -91.000 PHE 269 1.000 51.096 70.472 24.993 -99.200 -91.000 TYR 280 0.840 46.275 55.436 31.186 -99.200 -91.000 TYR 281 0.840 50.670 50.077 29.822 -99.200 -91.000