============================================================================= 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 6 1.040 -1.822 2.028 64.581 -99.200 -91.000 TRP6 6 1.020 -3.066 0.229 63.688 -99.200 -91.000 TYR 28 0.840 5.637 1.349 75.544 -99.200 -91.000 TYR 32 0.840 7.809 -6.755 76.363 -99.200 -91.000 PHE 33 1.000 5.523 0.276 69.291 -99.200 -91.000 PHE 42 1.000 4.852 -4.064 66.122 -99.200 -91.000 TRP 43 1.040 11.258 -9.582 72.367 -99.200 -91.000 TRP6 43 1.020 11.855 -11.713 71.535 -99.200 -91.000 HIS 50 0.900 -0.265 -16.379 77.372 -99.200 -91.000 PHE 56 1.000 -2.021 -19.497 71.299 -99.200 -91.000 TYR 71 0.840 -12.758 4.321 63.616 -99.200 -91.000 TRP 73 1.040 -13.028 0.339 60.786 -99.200 -91.000 TRP6 73 1.020 -13.082 -1.112 58.917 -99.200 -91.000 TYR 75 0.840 -19.334 -3.647 54.292 -99.200 -91.000 TRP 81 1.040 -8.063 0.458 50.711 -99.200 -91.000 TRP6 81 1.020 -7.569 -1.671 49.794 -99.200 -91.000 HIS 103 0.900 -10.792 -9.776 66.579 -99.200 -91.000 TYR 120 0.840 7.150 -15.115 57.699 -99.200 -91.000 TYR 145 0.840 -8.953 -18.203 50.279 -99.200 -91.000 PHE 157 1.000 6.198 -10.019 54.782 -99.200 -91.000 TYR 159 0.840 0.154 -6.602 56.477 -99.200 -91.000 TRP 186 1.040 -18.405 -10.960 57.396 -99.200 -91.000 TRP6 186 1.020 -17.242 -10.930 59.458 -99.200 -91.000 TYR 188 0.840 -25.963 -7.459 60.353 -99.200 -91.000 TYR 192 0.840 -10.967 -4.848 66.628 -99.200 -91.000 PHE 193 1.000 -8.023 -1.884 58.569 -99.200 -91.000 TYR 198 0.840 -3.026 -13.342 68.948 -99.200 -91.000 PHE 214 1.000 4.335 -4.665 60.910 -99.200 -91.000 HIS 221 0.900 -11.076 3.435 58.460 -99.200 -91.000