============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 21 1.000 24.380 -8.147 35.925 -99.200 -91.000 PHE 35 1.000 28.446 9.648 38.985 -99.200 -91.000 HIS 42 0.900 27.240 -11.197 32.865 -99.200 -91.000 PHE 45 1.000 31.567 -9.777 26.669 -99.200 -91.000 TRP 50 1.040 29.215 5.046 33.588 -99.200 -91.000 TRP6 50 1.020 30.069 7.097 34.398 -99.200 -91.000 TYR 61 0.840 22.477 18.607 35.991 -99.200 -91.000 TRP 62 1.040 19.143 11.197 32.416 -99.200 -91.000 TRP6 62 1.020 17.210 10.214 31.462 -99.200 -91.000 TYR 65 0.840 27.035 11.673 33.829 -99.200 -91.000 PHE 66 1.000 23.115 11.617 26.216 -99.200 -91.000 TRP 74 1.040 13.615 3.882 28.055 -99.200 -91.000 TRP6 74 1.020 14.243 6.033 28.818 -99.200 -91.000 PHE 107 1.000 16.902 -5.466 31.507 -99.200 -91.000 HIS 133 0.900 20.327 4.263 18.026 -99.200 -91.000 HIS 134 0.900 22.453 -3.869 15.367 -99.200 -91.000 TRP 135 1.040 14.489 -2.168 18.050 -99.200 -91.000 TRP6 135 1.020 12.640 -3.415 18.822 -99.200 -91.000 TRP 154 1.040 20.296 -9.199 21.967 -99.200 -91.000 TRP6 154 1.020 20.142 -6.842 22.070 -99.200 -91.000