============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 22.909 0.863 1.600 -99.200 -91.000 TRP6 9 1.020 22.612 -0.825 3.222 -99.200 -91.000 TYR 10 0.840 25.689 -3.386 -4.626 -99.200 -91.000 PHE 17 1.000 19.963 3.057 -1.467 -99.200 -91.000 TYR 31 0.840 17.184 3.239 -6.825 -99.200 -91.000 TYR 42 0.840 16.738 8.024 -13.378 -99.200 -91.000 TYR 48 0.840 19.907 9.609 9.356 -99.200 -91.000 TRP 63 1.040 15.401 6.074 -1.443 -99.200 -91.000 TRP6 63 1.020 15.622 4.290 0.109 -99.200 -91.000 TRP 67 1.040 11.416 6.682 -11.175 -99.200 -91.000 TRP6 67 1.020 13.412 5.570 -10.667 -99.200 -91.000 TYR 71 0.840 22.151 10.302 -20.867 -99.200 -91.000 HIS 75 0.900 6.686 12.383 -19.065 -99.200 -91.000 TRP 80 1.040 12.523 2.358 -2.811 -99.200 -91.000 TRP6 80 1.020 12.950 3.934 -4.508 -99.200 -91.000 TYR 84 0.840 21.389 0.650 9.148 -99.200 -91.000 TRP 96 1.040 8.938 -0.626 -4.497 -99.200 -91.000 TRP6 96 1.020 7.447 -0.528 -6.315 -99.200 -91.000 TRP 108 1.040 -9.024 4.391 -12.361 -99.200 -91.000 TRP6 108 1.020 -8.677 2.083 -12.315 -99.200 -91.000 HIS 115 0.900 7.949 -7.190 -1.711 -99.200 -91.000 PHE 118 1.000 17.032 -0.892 -1.848 -99.200 -91.000