============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TRP 4 1.040 -11.609 11.348 27.550 -99.200 -91.000 TRP6 4 1.020 -13.572 12.146 28.614 -99.200 -91.000 TYR 22 0.840 -14.472 34.202 30.441 -99.200 -91.000 PHE 34 1.000 -9.798 30.048 31.108 -99.200 -91.000 PHE 49 1.000 -15.346 36.926 20.291 -99.200 -91.000 HIS 54 0.900 -9.021 34.048 30.433 -99.200 -91.000 TYR 58 0.840 -4.711 28.175 31.094 -99.200 -91.000 TYR 69 0.840 -13.691 18.785 23.161 -99.200 -91.000 TRP 78 1.040 -20.445 35.298 16.685 -99.200 -91.000 TRP6 78 1.020 -21.291 36.384 18.595 -99.200 -91.000 TRP 98 1.040 -20.984 46.170 22.878 -99.200 -91.000 TRP6 98 1.020 -20.529 44.913 20.923 -99.200 -91.000 TRP 107 1.040 -4.473 37.735 21.936 -99.200 -91.000 TRP6 107 1.020 -4.700 35.518 21.135 -99.200 -91.000 HIS 111 0.900 -1.670 38.380 19.785 -99.200 -91.000 TYR 113 0.840 -6.419 30.489 17.099 -99.200 -91.000 TRP 120 1.040 -19.312 18.560 25.679 -99.200 -91.000 TRP6 120 1.020 -17.443 17.202 26.194 -99.200 -91.000 TRP 125 1.040 -19.204 12.964 23.220 -99.200 -91.000 TRP6 125 1.020 -17.897 14.559 22.078 -99.200 -91.000 TYR 132 0.840 -20.071 29.142 35.359 -99.200 -91.000