============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 2 1.000 205.410 39.211 11.266 -99.200 -91.000 PHE 5 1.000 197.570 38.376 17.011 -99.200 -91.000 TYR 28 0.840 207.505 63.660 10.383 -99.200 -91.000 TYR 44 0.840 200.035 79.883 3.057 -99.200 -91.000 TYR 48 0.840 201.091 88.060 1.179 -99.200 -91.000 TYR 50 0.840 205.366 83.029 -8.311 -99.200 -91.000 HIS 51 0.900 196.853 86.756 -4.518 -99.200 -91.000 PHE 54 1.000 195.886 89.466 -9.898 -99.200 -91.000 TYR 56 0.840 204.107 96.561 -11.693 -99.200 -91.000 PHE 57 1.000 203.979 92.348 -14.372 -99.200 -91.000 PHE 70 1.000 203.700 82.371 -15.013 -99.200 -91.000 PHE 71 1.000 204.298 86.890 -12.648 -99.200 -91.000 HIS 81 0.900 203.588 73.826 -5.911 -99.200 -91.000 TYR 88 0.840 204.958 63.682 4.141 -99.200 -91.000 PHE 108 1.000 206.860 92.707 -8.171 -99.200 -91.000 HIS 110 0.900 215.497 96.670 -14.291 -99.200 -91.000 HIS 118 0.900 212.933 93.507 -11.932 -99.200 -91.000 HIS 138 0.900 216.281 64.016 -0.933 -99.200 -91.000 PHE 152 1.000 205.135 64.757 0.298 -99.200 -91.000 TYR 157 0.840 206.168 69.574 -2.573 -99.200 -91.000 TYR 171 0.840 206.432 81.384 -19.485 -99.200 -91.000 HIS 182 0.900 204.111 94.609 -32.532 -99.200 -91.000 TRP 185 1.040 199.863 94.148 -26.466 -99.200 -91.000 TRP6 185 1.020 199.090 93.285 -28.529 -99.200 -91.000 HIS 186 0.900 203.044 88.490 -31.308 -99.200 -91.000 PHE 187 1.000 206.327 85.912 -23.032 -99.200 -91.000 HIS 193 0.900 194.583 84.760 -26.079 -99.200 -91.000