============================================================================= 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. TRP 35 1.040 4.799 -10.594 21.280 -99.200 -91.000 TRP6 35 1.020 4.462 -11.804 19.273 -99.200 -91.000 TYR 36 0.840 8.251 -3.270 19.369 -99.200 -91.000 TYR 49 0.840 8.125 -3.830 29.354 -99.200 -91.000 PHE 62 1.000 -3.843 -5.499 21.743 -99.200 -91.000 PHE 71 1.000 9.861 -15.827 23.082 -99.200 -91.000 PHE 83 1.000 -9.720 -7.287 12.806 -99.200 -91.000 TYR 86 0.840 -1.129 -6.931 16.066 -99.200 -91.000 TYR 87 0.840 6.313 -5.526 11.652 -99.200 -91.000 TYR 91 0.840 14.423 -6.919 24.563 -99.200 -91.000 TRP 94 1.040 26.574 -6.577 25.169 -99.200 -91.000 TRP6 94 1.020 25.259 -4.660 24.740 -99.200 -91.000 TYR 97 0.840 19.410 -5.553 21.115 -99.200 -91.000 PHE 99 1.000 12.230 -4.412 14.941 -99.200 -91.000 PHE 117 1.000 -17.170 -1.006 -12.637 -99.200 -91.000 PHE 119 1.000 -12.405 2.922 -15.468 -99.200 -91.000 PHE 140 1.000 -10.799 -8.045 -4.644 -99.200 -91.000 TYR 141 0.840 -12.441 -11.461 3.158 -99.200 -91.000 TRP 149 1.040 -4.039 -6.379 -17.901 -99.200 -91.000 TRP6 149 1.020 -5.611 -4.832 -18.764 -99.200 -91.000 TYR 174 0.840 -8.451 -6.956 1.584 -99.200 -91.000 TYR 187 0.840 -4.571 1.883 -27.031 -99.200 -91.000 HIS 190 0.900 -1.304 -5.401 -30.583 -99.200 -91.000 TYR 193 0.840 -5.510 -2.678 -26.454 -99.200 -91.000 HIS 199 0.900 -12.882 -12.925 -5.086 -99.200 -91.000 PHE 210 1.000 -10.234 -0.716 -24.404 -99.200 -91.000