============================================================================= 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. PHE 11 1.000 -16.190 65.771 65.169 -99.200 -91.000 HIS 25 0.900 -23.460 57.176 71.612 -99.200 -91.000 PHE 38 1.000 -17.944 66.232 81.452 -99.200 -91.000 TYR 62 0.840 -32.501 71.436 76.691 -99.200 -91.000 PHE 70 1.000 -22.622 74.031 77.098 -99.200 -91.000 PHE 90 1.000 -29.552 75.295 75.504 -99.200 -91.000 TYR 98 0.840 -11.502 71.046 78.789 -99.200 -91.000 TYR 101 0.840 -7.043 73.214 76.253 -99.200 -91.000 TYR 102 0.840 0.873 74.747 74.239 -99.200 -91.000 TYR 103 0.840 -0.862 78.953 76.804 -99.200 -91.000 HIS 110 0.900 -2.321 84.639 86.791 -99.200 -91.000 TYR 114 0.840 -10.757 78.658 83.043 -99.200 -91.000 PHE 115 1.000 -11.213 75.521 87.031 -99.200 -91.000 HIS 124 0.900 -28.251 75.834 84.042 -99.200 -91.000 TYR 127 0.840 -21.667 68.920 88.359 -99.200 -91.000 TYR 129 0.840 -12.618 66.314 82.249 -99.200 -91.000 TYR 131 0.840 -7.503 63.496 81.321 -99.200 -91.000 PHE 150 1.000 -14.799 73.898 90.887 -99.200 -91.000 HIS 162 0.900 -6.263 64.386 92.976 -99.200 -91.000 TYR 166 0.840 -11.089 66.578 93.911 -99.200 -91.000 TYR 176 0.840 -20.423 62.497 89.584 -99.200 -91.000 TYR 201 0.840 -16.307 51.031 74.540 -99.200 -91.000 PHE 226 1.000 -10.645 42.282 88.442 -99.200 -91.000 HIS 228 0.900 -16.175 48.540 80.797 -99.200 -91.000 PHE 238 1.000 -4.786 48.618 66.219 -99.200 -91.000 TYR 245 0.840 -15.576 58.662 66.941 -99.200 -91.000 TYR 250 0.840 -17.895 43.702 67.866 -99.200 -91.000 PHE 251 1.000 -18.578 45.462 72.554 -99.200 -91.000 TYR 254 0.840 -25.881 53.697 68.260 -99.200 -91.000 TYR 258 0.840 -15.945 59.232 58.344 -99.200 -91.000 PHE 264 1.000 -4.837 61.679 61.306 -99.200 -91.000