============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 23 1.040 5.437 18.261 64.597 -99.200 -91.000 TRP6 23 1.020 7.503 19.335 64.984 -99.200 -91.000 TYR 27 0.840 6.057 18.660 58.727 -99.200 -91.000 TYR 30 0.840 8.758 21.419 55.856 -99.200 -91.000 PHE 41 1.000 22.553 24.485 68.241 -99.200 -91.000 PHE 42 1.000 26.134 29.025 63.143 -99.200 -91.000 PHE 51 1.000 31.745 20.383 66.549 -99.200 -91.000 PHE 52 1.000 25.536 23.259 62.519 -99.200 -91.000 PHE 55 1.000 24.817 26.311 58.235 -99.200 -91.000 TRP 72 1.040 19.529 20.058 51.813 -99.200 -91.000 TRP6 72 1.020 17.373 19.106 51.694 -99.200 -91.000 HIS 73 0.900 23.524 22.096 55.893 -99.200 -91.000 HIS 105 0.900 23.665 13.966 63.274 -99.200 -91.000 PHE 109 1.000 26.397 13.965 58.812 -99.200 -91.000 TYR 115 0.840 27.948 21.744 71.116 -99.200 -91.000 PHE 116 1.000 23.623 14.628 68.594 -99.200 -91.000 PHE 134 1.000 8.106 19.094 71.446 -99.200 -91.000 TYR 149 0.840 28.165 10.905 68.657 -99.200 -91.000