============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 27 0.840 15.697 53.298 -13.397 -99.200 -91.000 TYR 33 0.840 18.329 57.522 -14.312 -99.200 -91.000 TRP 35 1.040 23.377 53.084 -11.592 -99.200 -91.000 TRP6 35 1.020 21.303 53.104 -10.468 -99.200 -91.000 TRP 37 1.040 30.514 51.938 -4.999 -99.200 -91.000 TRP6 37 1.020 29.502 51.309 -2.943 -99.200 -91.000 PHE 41 1.000 38.622 59.885 3.525 -99.200 -91.000 TRP 48 1.040 32.481 60.653 -7.627 -99.200 -91.000 TRP6 48 1.020 33.996 60.447 -9.436 -99.200 -91.000 TYR 51 0.840 30.130 58.154 -13.532 -99.200 -91.000 TYR 54 0.840 22.905 54.591 -19.959 -99.200 -91.000 TYR 60 0.840 37.209 52.687 -11.742 -99.200 -91.000 PHE 79 1.000 26.309 50.744 -7.535 -99.200 -91.000 PHE 80 1.000 28.791 43.149 -6.982 -99.200 -91.000 TYR 94 0.840 34.447 53.115 2.035 -99.200 -91.000 TYR 95 0.840 27.137 57.721 3.415 -99.200 -91.000 TRP 102 1.040 12.560 64.148 -15.237 -99.200 -91.000 TRP6 102 1.020 13.323 65.294 -17.134 -99.200 -91.000 TYR 109 0.840 15.674 57.617 -5.716 -99.200 -91.000 TRP 110 1.040 22.121 60.912 -1.385 -99.200 -91.000 TRP6 110 1.020 24.391 61.446 -0.988 -99.200 -91.000 TYR 129 0.840 39.364 50.111 34.554 -99.200 -91.000 TYR 151 0.840 35.546 50.193 23.075 -99.200 -91.000 PHE 152 1.000 39.808 46.969 16.370 -99.200 -91.000 TRP 160 1.040 24.752 55.421 32.675 -99.200 -91.000 TRP6 160 1.020 26.400 55.115 34.347 -99.200 -91.000 HIS 170 0.900 25.384 64.975 28.812 -99.200 -91.000 PHE 172 1.000 30.954 62.845 27.752 -99.200 -91.000 TYR 181 0.840 37.753 52.347 18.165 -99.200 -91.000 HIS 205 0.900 33.807 44.668 22.209 -99.200 -91.000