============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. HIS 16 0.900 -12.514 61.325 29.795 -99.200 -91.000 HIS 24 0.900 -6.043 72.121 26.783 -99.200 -91.000 HIS 26 0.900 -7.143 71.748 21.976 -99.200 -91.000 TYR 32 0.840 -23.384 61.396 13.898 -99.200 -91.000 HIS 36 0.900 -25.521 56.459 22.632 -99.200 -91.000 TYR 51 0.840 -23.528 58.557 8.314 -99.200 -91.000 PHE 54 1.000 -14.558 56.901 9.402 -99.200 -91.000 PHE 62 1.000 -15.248 62.010 8.386 -99.200 -91.000 HIS 78 0.900 -7.169 58.565 11.430 -99.200 -91.000 TRP 83 1.040 -13.953 42.250 19.175 -99.200 -91.000 TRP6 83 1.020 -15.990 41.108 19.675 -99.200 -91.000 PHE 95 1.000 -8.412 39.868 8.376 -99.200 -91.000 PHE 98 1.000 -8.336 46.915 4.182 -99.200 -91.000 HIS 101 0.900 -10.169 48.270 13.580 -99.200 -91.000 TYR 105 0.840 -3.418 54.558 2.085 -99.200 -91.000 HIS 110 0.900 -7.594 61.369 -0.836 -99.200 -91.000 HIS 125 0.900 -2.149 56.380 12.529 -99.200 -91.000 HIS 138 0.900 -11.212 38.662 20.720 -99.200 -91.000 TYR 141 0.840 -9.826 44.510 17.911 -99.200 -91.000 PHE 155 1.000 -0.337 57.828 6.023 -99.200 -91.000 PHE 159 1.000 1.037 62.640 5.656 -99.200 -91.000 TYR 175 0.840 -11.358 42.132 27.251 -99.200 -91.000 TYR 195 0.840 -7.504 65.272 27.511 -99.200 -91.000 TYR 200 0.840 4.766 62.579 25.839 -99.200 -91.000 TYR 206 0.840 14.014 65.731 18.773 -99.200 -91.000 HIS 219 0.900 4.755 45.885 29.055 -99.200 -91.000