============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 4 0.840 35.171 -75.789 52.982 -99.200 -91.000 PHE 11 1.000 37.032 -84.718 58.035 -99.200 -91.000 PHE 18 1.000 28.964 -77.051 58.580 -99.200 -91.000 TYR 22 0.840 23.500 -78.522 56.500 -99.200 -91.000 PHE 44 1.000 13.809-100.785 73.306 -99.200 -91.000 HIS 69 0.900 18.542-111.145 70.480 -99.200 -91.000 TYR 74 0.840 13.022 -96.411 62.905 -99.200 -91.000 HIS 83 0.900 18.607 -98.817 53.695 -99.200 -91.000 PHE 95 1.000 27.113-112.755 66.395 -99.200 -91.000 TYR 99 0.840 30.582-115.600 64.776 -99.200 -91.000 PHE 108 1.000 21.138-104.950 66.097 -99.200 -91.000 TYR 115 0.840 24.070-100.202 56.454 -99.200 -91.000 HIS 119 0.900 24.991 -95.695 54.588 -99.200 -91.000 TYR 122 0.840 32.287 -94.727 50.763 -99.200 -91.000 PHE 128 1.000 21.297 -95.265 57.391 -99.200 -91.000 PHE 134 1.000 20.997-100.181 68.995 -99.200 -91.000 HIS 143 0.900 23.859-105.538 77.243 -99.200 -91.000 TYR 145 0.840 24.619-100.499 73.182 -99.200 -91.000 TYR 153 0.840 27.928 -97.944 68.921 -99.200 -91.000 TRP 154 1.040 28.848 -92.390 73.200 -99.200 -91.000 TRP6 154 1.020 31.098 -93.150 73.208 -99.200 -91.000 TYR 156 0.840 22.952 -92.782 75.433 -99.200 -91.000 HIS 178 0.900 14.061 -88.145 92.274 -99.200 -91.000 TYR 196 0.840 -0.126 -89.852 77.893 -99.200 -91.000 HIS 199 0.900 1.575 -85.009 72.324 -99.200 -91.000 PHE 207 1.000 0.373 -88.788 73.192 -99.200 -91.000 TRP 213 1.040 7.342-105.727 78.140 -99.200 -91.000 TRP6 213 1.020 6.794-105.915 80.433 -99.200 -91.000 HIS 223 0.900 10.537-105.886 70.800 -99.200 -91.000 PHE 225 1.000 5.465-103.987 69.149 -99.200 -91.000 PHE 237 1.000 2.844 -93.808 86.978 -99.200 -91.000