============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. TYR 16 0.840 65.685 82.852 13.213 -99.200 -91.000 TYR 30 0.840 48.087 90.669 23.477 -99.200 -91.000 PHE 40 1.000 43.825 91.809 14.326 -99.200 -91.000 PHE 44 1.000 40.488 91.081 26.574 -99.200 -91.000 PHE 50 1.000 51.324 82.063 36.083 -99.200 -91.000 TYR 51 0.840 49.270 80.823 27.153 -99.200 -91.000 TYR 55 0.840 51.195 79.354 23.185 -99.200 -91.000 TYR 57 0.840 53.643 82.712 14.922 -99.200 -91.000 HIS 60 0.900 57.692 81.665 6.323 -99.200 -91.000 TYR 77 0.840 65.627 88.524 34.024 -99.200 -91.000 HIS 110 0.900 71.587 78.552 18.534 -99.200 -91.000 TYR 117 0.840 67.027 78.543 29.489 -99.200 -91.000 HIS 119 0.900 70.821 73.335 32.313 -99.200 -91.000 HIS 136 0.900 46.767 72.501 36.859 -99.200 -91.000 PHE 137 1.000 48.010 77.925 30.399 -99.200 -91.000 PHE 138 1.000 49.262 74.745 26.792 -99.200 -91.000 HIS 140 0.900 42.461 71.413 35.027 -99.200 -91.000 TYR 141 0.840 44.451 76.776 27.462 -99.200 -91.000 TRP 149 1.040 37.008 69.887 23.078 -99.200 -91.000 TRP6 149 1.020 38.577 68.317 22.197 -99.200 -91.000 TRP 155 1.040 55.298 66.750 29.441 -99.200 -91.000 TRP6 155 1.020 56.022 68.725 28.368 -99.200 -91.000 PHE 169 1.000 59.739 74.527 6.151 -99.200 -91.000