============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TYR 18 0.840 35.796 1.533 29.349 -99.200 -91.000 PHE 22 1.000 40.540 -7.103 25.702 -99.200 -91.000 TYR 35 0.840 35.233 -2.229 24.436 -99.200 -91.000 HIS 37 0.900 31.550 2.356 26.456 -99.200 -91.000 TYR 67 0.840 30.944 -7.915 13.204 -99.200 -91.000 PHE 68 1.000 34.995 -0.741 9.252 -99.200 -91.000 PHE 75 1.000 29.324 -8.688 8.560 -99.200 -91.000 TYR 81 0.840 27.419 -7.705 24.843 -99.200 -91.000 TYR 91 0.840 28.842 -6.203 28.225 -99.200 -91.000 PHE 94 1.000 27.294 -8.928 38.073 -99.200 -91.000 TYR 100 0.840 19.522 -17.540 40.055 -99.200 -91.000 TYR 101 0.840 25.232 -17.453 39.469 -99.200 -91.000 PHE 103 1.000 26.378 -11.891 43.243 -99.200 -91.000 TYR 129 0.840 31.677 -24.604 32.695 -99.200 -91.000 TYR 131 0.840 32.258 -15.755 34.606 -99.200 -91.000 TRP 134 1.040 42.065 -10.524 40.343 -99.200 -91.000 TRP6 134 1.020 41.483 -12.600 39.379 -99.200 -91.000 PHE 158 1.000 39.058 -8.563 30.082 -99.200 -91.000 PHE 163 1.000 42.323 1.508 34.128 -99.200 -91.000 PHE 179 1.000 9.585 -27.818 21.488 -99.200 -91.000 TRP 181 1.040 10.976 -32.427 23.503 -99.200 -91.000 TRP6 181 1.020 12.525 -30.843 24.330 -99.200 -91.000 TRP 185 1.040 17.756 -31.420 38.598 -99.200 -91.000 TRP6 185 1.020 19.806 -30.755 37.612 -99.200 -91.000 PHE 190 1.000 20.999 -22.578 33.815 -99.200 -91.000 TYR 213 0.840 15.506 -24.629 29.529 -99.200 -91.000 PHE 218 1.000 28.124 -19.639 33.812 -99.200 -91.000 PHE 220 1.000 20.684 -25.473 30.048 -99.200 -91.000 PHE 273 1.000 11.607 -37.608 25.256 -99.200 -91.000