============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 29 1.000 25.956 45.242 78.882 -99.200 -91.000 TYR 32 0.840 26.570 39.092 85.298 -99.200 -91.000 TRP 36 1.040 24.114 37.878 71.632 -99.200 -91.000 TRP6 36 1.020 21.857 38.460 71.290 -99.200 -91.000 TRP 47 1.040 29.233 30.512 72.060 -99.200 -91.000 TRP6 47 1.020 30.972 31.509 70.808 -99.200 -91.000 PHE 55 1.000 38.087 43.571 77.440 -99.200 -91.000 TYR 60 0.840 31.600 38.465 65.332 -99.200 -91.000 PHE 64 1.000 26.718 31.358 62.801 -99.200 -91.000 TYR 80 0.840 21.284 47.113 70.378 -99.200 -91.000 TYR 93 0.840 18.674 34.072 65.904 -99.200 -91.000 PHE 94 1.000 16.580 30.073 73.452 -99.200 -91.000 HIS 100 0.900 34.506 29.504 80.741 -99.200 -91.000 TRP 105 1.040 20.665 29.840 79.382 -99.200 -91.000 TRP6 105 1.020 21.245 28.479 77.550 -99.200 -91.000 PHE 124 1.000 -9.063 23.297 52.613 -99.200 -91.000 TYR 147 0.840 -1.048 28.383 59.951 -99.200 -91.000 PHE 148 1.000 5.161 34.620 57.275 -99.200 -91.000 TRP 156 1.040 -11.136 19.477 68.078 -99.200 -91.000 TRP6 156 1.020 -12.297 18.846 66.114 -99.200 -91.000 HIS 166 0.900 -2.860 12.285 69.691 -99.200 -91.000 PHE 168 1.000 -0.873 14.571 64.293 -99.200 -91.000 TYR 178 0.840 5.199 28.024 59.427 -99.200 -91.000 TYR 196 0.840 -17.903 14.911 67.721 -99.200 -91.000 HIS 202 0.900 -2.629 33.041 61.297 -99.200 -91.000