============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 5 1.040 -2.971 -15.250 11.787 -99.200 -91.000 TRP6 5 1.020 -1.325 -16.196 13.195 -99.200 -91.000 TYR 23 0.840 19.225 -10.581 8.767 -99.200 -91.000 PHE 35 1.000 14.511 -12.694 5.380 -99.200 -91.000 PHE 50 1.000 18.760 -0.398 9.917 -99.200 -91.000 HIS 55 0.900 17.747 -10.356 3.368 -99.200 -91.000 TYR 59 0.840 11.830 -13.190 0.881 -99.200 -91.000 TYR 70 0.840 2.683 -8.604 12.450 -99.200 -91.000 TRP 79 1.040 17.782 2.789 15.198 -99.200 -91.000 TRP6 79 1.020 19.454 1.202 15.726 -99.200 -91.000 TRP 99 1.040 29.475 0.076 13.193 -99.200 -91.000 TRP6 99 1.020 27.655 1.583 13.176 -99.200 -91.000 TRP 108 1.040 17.731 -1.710 -1.195 -99.200 -91.000 TRP6 108 1.020 15.502 -1.636 -0.410 -99.200 -91.000 HIS 112 0.900 17.110 0.627 -3.920 -99.200 -91.000 TYR 114 0.840 10.762 1.058 2.235 -99.200 -91.000 TRP 121 1.040 4.767 -10.947 17.707 -99.200 -91.000 TRP6 121 1.020 3.278 -12.011 16.203 -99.200 -91.000 TRP 126 1.040 -1.111 -10.562 19.116 -99.200 -91.000 TRP6 126 1.020 -0.353 -9.074 17.439 -99.200 -91.000 TYR 133 0.840 17.541 -16.742 15.282 -99.200 -91.000