============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. HIS 7 0.900 -20.021 -0.641 -1.858 -99.200 -91.000 PHE 14 1.000 -6.202 6.216 2.695 -99.200 -91.000 HIS 17 0.900 -13.762 4.969 3.444 -99.200 -91.000 PHE 64 1.000 -11.543 26.795 38.537 -99.200 -91.000 HIS 66 0.900 -13.685 34.611 31.940 -99.200 -91.000 HIS 69 0.900 -10.479 28.775 44.348 -99.200 -91.000 TYR 71 0.840 -19.607 30.432 38.347 -99.200 -91.000 HIS 72 0.900 -15.254 28.166 38.161 -99.200 -91.000 PHE 86 1.000 -30.056 11.191 34.814 -99.200 -91.000 TYR 93 0.840 -23.840 6.828 37.400 -99.200 -91.000 TYR 131 0.840 -4.132 56.296 33.939 -99.200 -91.000 TRP 141 1.040 -3.609 48.561 33.861 -99.200 -91.000 TRP6 141 1.020 -4.435 46.430 34.479 -99.200 -91.000 TYR 144 0.840 3.821 40.183 29.609 -99.200 -91.000 TYR 158 0.840 -3.176 40.143 15.895 -99.200 -91.000 PHE 173 1.000 5.312 55.652 26.680 -99.200 -91.000 PHE 183 1.000 -19.119 49.750 19.022 -99.200 -91.000 PHE 212 1.000 -12.402 24.863 43.837 -99.200 -91.000 PHE 222 1.000 -10.074 19.562 29.723 -99.200 -91.000 PHE 225 1.000 -2.706 30.797 26.921 -99.200 -91.000 HIS 233 0.900 7.837 16.821 33.518 -99.200 -91.000 HIS 255 0.900 5.583 28.878 15.608 -99.200 -91.000 PHE 261 1.000 1.904 17.077 20.148 -99.200 -91.000 PHE 288 1.000 -4.738 23.026 6.737 -99.200 -91.000 TYR 351 0.840 -31.419 28.295 19.896 -99.200 -91.000 HIS 360 0.900 -25.535 10.951 20.123 -99.200 -91.000 PHE 371 1.000 -10.163 2.712 3.476 -99.200 -91.000 HIS 372 0.900 -13.694 2.181 11.562 -99.200 -91.000 PHE 376 1.000 -5.747 -3.476 13.455 -99.200 -91.000 TYR 402 0.840 -11.200 -3.263 12.432 -99.200 -91.000 HIS 420 0.900 -7.145 3.990 29.654 -99.200 -91.000 TYR 425 0.840 -3.209 -0.907 18.368 -99.200 -91.000 HIS 438 0.900 -17.717 4.158 41.960 -99.200 -91.000 HIS 445 0.900 -17.449 9.427 29.821 -99.200 -91.000 TYR 447 0.840 -7.835 6.829 27.088 -99.200 -91.000 PHE 451 1.000 -22.256 3.648 26.936 -99.200 -91.000 TRP 463 1.040 -11.055 -14.533 37.709 -99.200 -91.000 TRP6 463 1.020 -11.005 -12.208 38.143 -99.200 -91.000 PHE 483 1.000 -24.318 1.133 23.063 -99.200 -91.000 PHE 484 1.000 -24.538 -5.785 23.226 -99.200 -91.000 TRP 496 1.040 -6.917 -18.798 32.582 -99.200 -91.000 TRP6 496 1.020 -8.661 -19.447 31.112 -99.200 -91.000 PHE 502 1.000 -1.747 -9.087 29.765 -99.200 -91.000