============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 11 1.040 20.107 -14.676 39.971 -99.200 -91.000 TRP6 11 1.020 18.761 -13.780 41.716 -99.200 -91.000 PHE 26 1.000 25.315 -19.393 30.897 -99.200 -91.000 HIS 33 0.900 21.481 -23.737 17.452 -99.200 -91.000 PHE 43 1.000 17.544 -2.042 40.070 -99.200 -91.000 HIS 45 0.900 23.149 -10.452 41.743 -99.200 -91.000 HIS 55 0.900 28.053 -16.572 22.722 -99.200 -91.000 PHE 58 1.000 24.303 -16.621 25.992 -99.200 -91.000 PHE 77 1.000 22.792 -0.144 33.226 -99.200 -91.000 TRP 81 1.040 15.268 -9.400 24.358 -99.200 -91.000 TRP6 81 1.020 14.075 -11.336 23.665 -99.200 -91.000 HIS 86 0.900 9.260 -18.118 37.009 -99.200 -91.000 TRP 91 1.040 3.784 -19.619 43.643 -99.200 -91.000 TRP6 91 1.020 4.821 -19.541 45.773 -99.200 -91.000 TYR 92 0.840 5.744 -14.507 49.057 -99.200 -91.000 TYR 93 0.840 7.061 -11.469 45.250 -99.200 -91.000 PHE 112 1.000 12.100 -2.748 28.555 -99.200 -91.000 TRP 150 1.040 -0.335 -10.042 20.103 -99.200 -91.000 TRP6 150 1.020 -0.241 -11.925 21.530 -99.200 -91.000 TYR 157 0.840 1.998 -25.038 29.507 -99.200 -91.000 TRP 161 1.040 1.291 -29.648 36.354 -99.200 -91.000 TRP6 161 1.020 2.459 -31.012 34.786 -99.200 -91.000 HIS 178 0.900 4.774 -25.205 24.302 -99.200 -91.000 TRP 184 1.040 -7.677 -17.643 23.045 -99.200 -91.000 TRP6 184 1.020 -6.529 -15.560 23.120 -99.200 -91.000 TYR 201 0.840 7.938 -27.709 29.442 -99.200 -91.000 TYR 214 0.840 13.549 -26.567 19.019 -99.200 -91.000 PHE 222 1.000 13.544 -26.630 25.503 -99.200 -91.000 PHE 230 1.000 20.490 -21.075 28.945 -99.200 -91.000