============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. HIS 3 0.900 11.240 -13.739 82.920 -99.200 -91.000 TYR 4 0.840 11.031 -12.295 74.685 -99.200 -91.000 PHE 10 1.000 1.704 -12.456 86.739 -99.200 -91.000 HIS 24 0.900 -0.041 -21.886 83.079 -99.200 -91.000 TYR 25 0.840 0.015 -17.486 81.091 -99.200 -91.000 TYR 47 0.840 0.889 1.278 92.197 -99.200 -91.000 TYR 97 0.840 -0.244 2.769 80.862 -99.200 -91.000 HIS 118 0.900 -0.797 31.965 87.901 -99.200 -91.000 HIS 123 0.900 9.691 29.974 100.033 -99.200 -91.000 TYR 124 0.840 14.749 28.687 94.848 -99.200 -91.000 TYR 130 0.840 -0.644 29.787 94.785 -99.200 -91.000 TYR 132 0.840 -2.528 27.707 101.046 -99.200 -91.000 HIS 134 0.900 -4.932 23.598 101.255 -99.200 -91.000 HIS 135 0.900 -5.369 31.456 102.376 -99.200 -91.000 PHE 136 1.000 -9.957 31.579 97.308 -99.200 -91.000 TRP 140 1.040 -11.428 24.289 92.232 -99.200 -91.000 TRP6 140 1.020 -12.793 25.923 91.199 -99.200 -91.000 TYR 145 0.840 -3.874 25.572 89.609 -99.200 -91.000 TYR 155 0.840 -2.106 16.173 78.696 -99.200 -91.000 TYR 156 0.840 -8.931 11.206 85.240 -99.200 -91.000 TYR 164 0.840 -10.677 6.287 95.591 -99.200 -91.000 TYR 172 0.840 -11.717 15.706 84.568 -99.200 -91.000 TYR 173 0.840 -16.674 14.437 83.356 -99.200 -91.000 TRP 178 1.040 -17.890 23.948 91.259 -99.200 -91.000 TRP6 178 1.020 -16.502 22.920 92.873 -99.200 -91.000