============================================================================= 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 5 1.040 58.512 40.419 170.783 -99.200 -91.000 TRP6 5 1.020 60.480 39.201 171.242 -99.200 -91.000 PHE 13 1.000 56.300 52.680 176.188 -99.200 -91.000 PHE 16 1.000 57.238 52.546 167.949 -99.200 -91.000 PHE 23 1.000 47.553 49.113 163.136 -99.200 -91.000 HIS 25 0.900 42.135 44.735 165.231 -99.200 -91.000 PHE 36 1.000 70.745 53.774 171.228 -99.200 -91.000 TYR 42 0.840 63.818 41.470 178.084 -99.200 -91.000 TYR 64 0.840 73.609 48.845 169.761 -99.200 -91.000 TYR 81 0.840 51.683 64.571 155.578 -99.200 -91.000 PHE 86 1.000 53.218 66.793 164.532 -99.200 -91.000 TYR 102 0.840 71.614 56.327 162.938 -99.200 -91.000 PHE 112 1.000 57.573 68.217 150.531 -99.200 -91.000 PHE 116 1.000 55.017 74.637 151.360 -99.200 -91.000 TYR 125 0.840 71.662 61.495 165.668 -99.200 -91.000 PHE 165 1.000 58.913 62.186 168.767 -99.200 -91.000 TYR 167 0.840 59.726 59.019 163.792 -99.200 -91.000 PHE 176 1.000 53.142 50.175 165.448 -99.200 -91.000