============================================================================= 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. HIS 4 0.900 18.800 -7.211 36.569 -99.200 -91.000 TYR 8 0.840 15.084 -8.029 47.105 -99.200 -91.000 HIS 18 0.900 10.081 3.994 41.107 -99.200 -91.000 TRP 29 1.040 -0.474 -12.104 46.525 -99.200 -91.000 TRP6 29 1.020 -2.157 -10.482 46.903 -99.200 -91.000 HIS 35 0.900 3.941 6.056 51.997 -99.200 -91.000 HIS 51 0.900 21.102 -2.946 38.513 -99.200 -91.000 TYR 63 0.840 4.310 -9.515 35.555 -99.200 -91.000 HIS 71 0.900 -3.315 -3.167 58.761 -99.200 -91.000 HIS 81 0.900 -1.935 0.123 62.087 -99.200 -91.000 TRP 103 1.040 6.707 -12.403 54.124 -99.200 -91.000 TRP6 103 1.020 5.498 -12.514 56.150 -99.200 -91.000 TRP 121 1.040 15.022 1.748 40.000 -99.200 -91.000 TRP6 121 1.020 13.710 -0.077 40.744 -99.200 -91.000 HIS 128 0.900 23.276 -1.948 46.153 -99.200 -91.000 HIS 143 0.900 17.266 11.201 67.206 -99.200 -91.000 HIS 144 0.900 11.723 10.354 63.249 -99.200 -91.000 TYR 184 0.840 13.389 2.080 56.673 -99.200 -91.000 TYR 190 0.840 1.598 -4.062 60.618 -99.200 -91.000 TRP 193 1.040 -3.384 -7.135 56.299 -99.200 -91.000 TRP6 193 1.020 -1.811 -6.046 54.900 -99.200 -91.000