============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 2 0.840 18.780 25.221 43.281 -99.200 -91.000 HIS 3 0.900 27.206 19.644 44.764 -99.200 -91.000 HIS 16 0.900 7.556 14.077 55.372 -99.200 -91.000 TYR 31 0.840 11.119 3.130 58.024 -99.200 -91.000 TYR 33 0.840 9.376 11.097 50.699 -99.200 -91.000 HIS 39 0.900 17.378 0.235 52.252 -99.200 -91.000 HIS 40 0.900 15.951 2.044 46.250 -99.200 -91.000 HIS 42 0.900 25.282 4.210 45.200 -99.200 -91.000 PHE 57 1.000 13.853 12.733 46.669 -99.200 -91.000 TYR 61 0.840 11.861 1.850 42.116 -99.200 -91.000 PHE 71 1.000 8.181 3.789 38.211 -99.200 -91.000 TRP 73 1.040 7.337 6.993 44.157 -99.200 -91.000 TRP6 73 1.020 8.066 6.000 46.209 -99.200 -91.000 HIS 78 0.900 9.903 25.803 47.747 -99.200 -91.000 HIS 84 0.900 16.821 28.370 38.882 -99.200 -91.000 HIS 92 0.900 24.083 14.650 39.163 -99.200 -91.000 HIS 101 0.900 25.518 -2.029 31.390 -99.200 -91.000 HIS 104 0.900 13.905 0.590 26.919 -99.200 -91.000 PHE 120 1.000 9.324 12.167 33.972 -99.200 -91.000 HIS 130 0.900 10.034 7.022 20.870 -99.200 -91.000 PHE 136 1.000 0.302 2.099 37.181 -99.200 -91.000 PHE 137 1.000 -4.489 2.317 38.403 -99.200 -91.000 PHE 142 1.000 -8.486 2.293 41.596 -99.200 -91.000 PHE 151 1.000 16.796 7.658 27.985 -99.200 -91.000