============================================================================= 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. PHE 6 1.000 21.190 22.628 19.453 -99.200 -91.000 TYR 7 0.840 16.630 23.113 21.031 -99.200 -91.000 HIS 40 0.900 11.111 11.099 15.592 -99.200 -91.000 PHE 41 1.000 8.069 4.583 10.340 -99.200 -91.000 HIS 42 0.900 4.764 7.332 7.769 -99.200 -91.000 PHE 45 1.000 12.266 4.166 8.260 -99.200 -91.000 PHE 61 1.000 8.728 22.185 -1.454 -99.200 -91.000 PHE 68 1.000 1.110 6.041 -4.059 -99.200 -91.000 PHE 77 1.000 0.578 16.221 8.964 -99.200 -91.000 TRP 117 1.040 14.682 8.563 24.828 -99.200 -91.000 TRP6 117 1.020 12.523 7.774 24.265 -99.200 -91.000 PHE 130 1.000 13.791 16.005 0.396 -99.200 -91.000 PHE 142 1.000 1.865 -3.290 -0.160 -99.200 -91.000 PHE 143 1.000 7.372 -2.570 1.580 -99.200 -91.000 PHE 152 1.000 12.543 -0.364 9.943 -99.200 -91.000 HIS 170 0.900 2.707 -0.834 13.532 -99.200 -91.000 PHE 172 1.000 1.245 4.545 20.964 -99.200 -91.000 PHE 179 1.000 -3.488 0.912 4.962 -99.200 -91.000 TYR 185 0.840 -13.045 -10.725 4.350 -99.200 -91.000 PHE 187 1.000 -1.134 -12.968 2.987 -99.200 -91.000 TYR 201 0.840 -6.884 -10.051 16.295 -99.200 -91.000 PHE 221 1.000 -1.250 -0.785 13.579 -99.200 -91.000 PHE 229 1.000 5.813 2.495 23.452 -99.200 -91.000 TYR 233 0.840 3.978 -5.135 17.571 -99.200 -91.000 TYR 234 0.840 7.646 -6.289 20.588 -99.200 -91.000 PHE 251 1.000 6.402 -15.998 17.075 -99.200 -91.000 PHE 266 1.000 12.837 -6.307 21.679 -99.200 -91.000 PHE 273 1.000 8.755 -2.435 23.329 -99.200 -91.000 PHE 274 1.000 8.574 0.307 28.335 -99.200 -91.000 PHE 277 1.000 9.870 2.825 21.066 -99.200 -91.000