============================================================================= 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. TRP 14 1.040 34.418 -13.696 33.787 -99.200 -91.000 TRP6 14 1.020 33.763 -11.654 34.805 -99.200 -91.000 TYR 36 0.840 32.570 5.524 42.736 -99.200 -91.000 TYR 42 0.840 41.752 0.663 50.728 -99.200 -91.000 PHE 43 1.000 43.994 -0.143 44.513 -99.200 -91.000 HIS 45 0.900 50.643 -0.544 46.834 -99.200 -91.000 TRP 46 1.040 50.012 -0.122 42.461 -99.200 -91.000 TRP6 46 1.020 47.915 -0.036 41.366 -99.200 -91.000 HIS 59 0.900 45.236 -4.556 41.614 -99.200 -91.000 HIS 88 0.900 41.243 -8.413 48.258 -99.200 -91.000 PHE 90 1.000 43.739 -11.440 59.964 -99.200 -91.000 PHE 99 1.000 35.710 -6.146 49.484 -99.200 -91.000 HIS 104 0.900 28.199 2.098 39.778 -99.200 -91.000 PHE 114 1.000 30.808 -7.330 26.105 -99.200 -91.000 PHE 118 1.000 25.518 -4.481 31.865 -99.200 -91.000 HIS 123 0.900 22.072 -3.677 36.639 -99.200 -91.000 TYR 126 0.840 25.264 -9.388 33.880 -99.200 -91.000 PHE 129 1.000 30.191 -13.233 39.986 -99.200 -91.000 PHE 130 1.000 30.550 -8.098 39.405 -99.200 -91.000 TYR 141 0.840 35.832 -6.929 56.022 -99.200 -91.000