============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 27 0.840 38.773 9.525 31.541 -99.200 -91.000 PHE 29 1.000 44.793 6.525 30.820 -99.200 -91.000 TRP 33 1.040 38.338 0.110 38.429 -99.200 -91.000 TRP6 33 1.020 39.875 -1.686 38.362 -99.200 -91.000 TRP 36 1.040 40.337 -2.362 27.105 -99.200 -91.000 TRP6 36 1.020 40.904 -1.547 24.955 -99.200 -91.000 TRP 47 1.040 33.738 -6.123 31.437 -99.200 -91.000 TRP6 47 1.020 35.329 -7.117 32.872 -99.200 -91.000 TYR 52 0.840 42.807 2.300 39.772 -99.200 -91.000 TYR 60 0.840 42.998 -9.605 31.737 -99.200 -91.000 PHE 64 1.000 37.141 -12.328 25.916 -99.200 -91.000 TYR 80 0.840 49.014 1.497 23.881 -99.200 -91.000 TYR 93 0.840 37.821 -7.376 19.780 -99.200 -91.000 PHE 94 1.000 31.962 -0.722 20.538 -99.200 -91.000 TYR 99 0.840 34.644 5.651 37.291 -99.200 -91.000 TYR 103 0.840 32.761 9.111 24.668 -99.200 -91.000 TRP 104 1.040 30.017 2.238 25.997 -99.200 -91.000 TRP6 104 1.020 29.940 -0.096 25.634 -99.200 -91.000 PHE 123 1.000 34.892 1.666 -10.776 -99.200 -91.000 TYR 146 0.840 35.018 -2.420 0.648 -99.200 -91.000 PHE 147 1.000 38.948 -9.789 3.161 -99.200 -91.000 TRP 155 1.040 28.787 11.880 -0.139 -99.200 -91.000 TRP6 155 1.020 29.072 11.873 -2.481 -99.200 -91.000 HIS 165 0.900 19.451 7.753 3.032 -99.200 -91.000 PHE 167 1.000 21.808 2.245 -0.218 -99.200 -91.000 TYR 177 0.840 33.364 -7.667 2.913 -99.200 -91.000 TYR 195 0.840 26.788 18.368 -4.887 -99.200 -91.000 HIS 201 0.900 40.099 -0.989 2.730 -99.200 -91.000