============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TRP 14 1.040 70.878 -16.517 75.050 -99.200 -91.000 TRP6 14 1.020 69.970 -17.281 73.008 -99.200 -91.000 PHE 19 1.000 80.494 -23.737 90.389 -99.200 -91.000 TRP 37 1.040 84.529 -10.303 73.278 -99.200 -91.000 TRP6 37 1.020 86.089 -9.527 74.877 -99.200 -91.000 HIS 43 0.900 75.188 -7.066 90.411 -99.200 -91.000 TYR 47 0.840 77.512 -4.416 96.249 -99.200 -91.000 TRP 49 1.040 76.697 -7.195 99.984 -99.200 -91.000 TRP6 49 1.020 75.076 -8.607 99.005 -99.200 -91.000 PHE 53 1.000 84.205 -13.158 93.223 -99.200 -91.000 HIS 65 0.900 67.880 -28.072 81.644 -99.200 -91.000 TYR 70 0.840 82.059 -33.209 84.444 -99.200 -91.000 TYR 84 0.840 88.700 -5.253 78.170 -99.200 -91.000 HIS 86 0.900 80.602 1.872 81.166 -99.200 -91.000 TYR 89 0.840 79.819 -1.093 89.058 -99.200 -91.000 TRP 91 1.040 81.838 2.130 93.322 -99.200 -91.000 TRP6 91 1.020 81.920 2.813 95.588 -99.200 -91.000 TYR 113 0.840 72.272 -29.396 73.890 -99.200 -91.000 HIS 115 0.900 73.745 -20.434 67.752 -99.200 -91.000 HIS 129 0.900 57.506 0.355 71.317 -99.200 -91.000 PHE 132 1.000 55.753 -4.204 72.448 -99.200 -91.000 TRP 139 1.040 70.674 -23.473 86.664 -99.200 -91.000 TRP6 139 1.020 72.059 -22.628 84.947 -99.200 -91.000 TRP 146 1.040 67.900 -14.584 108.608 -99.200 -91.000 TRP6 146 1.020 66.850 -16.200 109.990 -99.200 -91.000