============================================================================= 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. TYR 6 0.840 53.266 22.731 74.879 -99.200 -91.000 TYR 16 0.840 50.853 18.851 72.335 -99.200 -91.000 PHE 19 1.000 55.408 22.204 71.067 -99.200 -91.000 TYR 35 0.840 48.514 12.476 48.703 -99.200 -91.000 TYR 49 0.840 70.542 21.242 63.103 -99.200 -91.000 TYR 72 0.840 64.618 10.911 64.557 -99.200 -91.000 TYR 76 0.840 67.693 17.112 77.152 -99.200 -91.000 PHE 80 1.000 73.134 21.459 85.870 -99.200 -91.000 TYR 86 0.840 76.515 20.957 75.032 -99.200 -91.000 HIS 87 0.900 70.938 17.652 78.871 -99.200 -91.000 PHE 89 1.000 68.627 12.070 71.782 -99.200 -91.000 TYR 118 0.840 69.840 8.169 76.646 -99.200 -91.000 TYR 122 0.840 60.458 6.819 69.705 -99.200 -91.000 PHE 157 1.000 69.217 14.674 83.076 -99.200 -91.000 PHE 165 1.000 62.963 15.840 78.295 -99.200 -91.000 PHE 179 1.000 53.385 9.979 62.869 -99.200 -91.000 TYR 181 0.840 46.608 8.489 66.843 -99.200 -91.000 PHE 190 1.000 46.962 19.692 76.608 -99.200 -91.000 PHE 194 1.000 49.004 10.370 75.537 -99.200 -91.000 TRP 207 1.040 57.025 11.045 60.378 -99.200 -91.000 TRP6 207 1.020 59.061 12.161 60.482 -99.200 -91.000 HIS 215 0.900 57.412 11.893 48.183 -99.200 -91.000 TRP 236 1.040 44.927 2.508 60.001 -99.200 -91.000 TRP6 236 1.020 46.056 4.476 60.409 -99.200 -91.000 TYR 253 0.840 63.309 15.409 51.538 -99.200 -91.000