============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 28 0.840 113.507 85.244 8.505 -99.200 -91.000 TYR 31 0.840 110.990 82.477 13.500 -99.200 -91.000 TRP 37 1.040 115.952 74.944 23.331 -99.200 -91.000 TRP6 37 1.020 114.199 75.861 24.605 -99.200 -91.000 TRP 47 1.040 106.715 72.052 25.939 -99.200 -91.000 TRP6 47 1.020 107.386 74.304 25.872 -99.200 -91.000 PHE 50 1.000 111.371 76.983 28.906 -99.200 -91.000 PHE 54 1.000 114.560 79.207 32.490 -99.200 -91.000 PHE 55 1.000 108.380 81.251 31.693 -99.200 -91.000 HIS 57 0.900 110.343 82.737 39.280 -99.200 -91.000 TYR 78 0.840 112.351 66.432 38.349 -99.200 -91.000 PHE 79 1.000 103.057 64.692 44.701 -99.200 -91.000 TYR 90 0.840 105.692 59.047 60.767 -99.200 -91.000 PHE 105 1.000 112.019 68.854 58.957 -99.200 -91.000 TRP 125 1.040 108.760 65.833 45.637 -99.200 -91.000 TRP6 125 1.020 106.891 67.062 46.443 -99.200 -91.000 TYR 133 0.840 114.098 65.265 43.079 -99.200 -91.000 PHE 135 1.000 108.205 56.289 41.166 -99.200 -91.000 TYR 143 0.840 106.246 54.294 45.129 -99.200 -91.000 PHE 145 1.000 116.779 59.663 50.078 -99.200 -91.000 PHE 157 1.000 106.934 65.962 60.593 -99.200 -91.000 TYR 167 0.840 117.483 68.057 39.528 -99.200 -91.000 TRP 184 1.040 121.105 83.090 32.119 -99.200 -91.000 TRP6 184 1.020 118.981 82.941 31.104 -99.200 -91.000 HIS 185 0.900 122.911 78.594 39.195 -99.200 -91.000 TRP 187 1.040 124.772 73.223 39.472 -99.200 -91.000 TRP6 187 1.020 124.851 71.041 40.357 -99.200 -91.000 HIS 191 0.900 115.110 71.156 46.092 -99.200 -91.000 HIS 193 0.900 110.393 69.608 45.851 -99.200 -91.000 TRP 194 1.040 108.684 69.766 53.732 -99.200 -91.000 TRP6 194 1.020 108.650 67.997 55.303 -99.200 -91.000 TYR 201 0.840 92.726 73.310 59.884 -99.200 -91.000 TYR 209 0.840 114.723 76.274 49.228 -99.200 -91.000 PHE 210 1.000 118.883 71.174 54.186 -99.200 -91.000 TRP 215 1.040 124.450 75.304 43.599 -99.200 -91.000 TRP6 215 1.020 125.507 76.537 41.880 -99.200 -91.000 HIS 240 0.900 122.435 62.726 64.532 -99.200 -91.000 PHE 241 1.000 125.196 67.906 59.364 -99.200 -91.000 TYR 245 0.840 109.484 75.646 58.562 -99.200 -91.000 PHE 247 1.000 106.379 72.120 57.623 -99.200 -91.000