============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TRP 28 1.040 26.705 246.155 34.102 -99.200 -91.000 TRP6 28 1.020 27.934 247.271 35.785 -99.200 -91.000 PHE 35 1.000 23.816 241.683 34.662 -99.200 -91.000 TYR 56 0.840 21.503 251.474 49.402 -99.200 -91.000 TYR 57 0.840 14.268 249.975 53.546 -99.200 -91.000 PHE 65 1.000 36.459 244.169 44.829 -99.200 -91.000 TYR 72 0.840 35.691 256.816 58.357 -99.200 -91.000 PHE 73 1.000 31.032 248.933 56.473 -99.200 -91.000 PHE 77 1.000 23.307 244.335 60.962 -99.200 -91.000 HIS 85 0.900 27.737 255.766 66.330 -99.200 -91.000 PHE 91 1.000 34.687 252.139 51.997 -99.200 -91.000 PHE 105 1.000 26.386 250.011 52.678 -99.200 -91.000 TRP 106 1.040 25.528 254.935 57.415 -99.200 -91.000 TRP6 106 1.020 27.685 255.777 57.862 -99.200 -91.000 TYR 108 0.840 32.195 261.068 54.767 -99.200 -91.000 PHE 137 1.000 11.768 249.285 49.508 -99.200 -91.000 TYR 138 0.840 18.319 255.633 47.558 -99.200 -91.000 HIS 143 0.900 17.762 259.690 45.371 -99.200 -91.000 PHE 147 1.000 19.145 248.363 40.750 -99.200 -91.000 TYR 150 0.840 17.376 249.347 34.628 -99.200 -91.000 HIS 152 0.900 7.370 248.223 31.459 -99.200 -91.000 PHE 159 1.000 11.510 258.793 57.378 -99.200 -91.000 PHE 162 1.000 4.554 256.316 56.282 -99.200 -91.000 PHE 166 1.000 -0.661 258.441 60.025 -99.200 -91.000 PHE 171 1.000 10.721 260.603 62.889 -99.200 -91.000 HIS 176 0.900 13.268 273.747 58.915 -99.200 -91.000 TYR 223 0.840 52.085 234.481 44.947 -99.200 -91.000 TRP 243 1.040 22.735 234.310 58.911 -99.200 -91.000 TRP6 243 1.020 20.728 233.606 59.936 -99.200 -91.000 HIS 250 0.900 41.248 240.619 43.500 -99.200 -91.000 HIS 254 0.900 51.753 237.095 37.281 -99.200 -91.000 PHE 259 1.000 39.716 231.686 35.234 -99.200 -91.000 HIS 262 0.900 36.701 227.681 36.809 -99.200 -91.000 TYR 263 0.840 31.420 221.496 36.464 -99.200 -91.000 TYR 272 0.840 33.384 245.503 37.708 -99.200 -91.000 PHE 291 1.000 32.685 236.619 26.162 -99.200 -91.000 TYR 307 0.840 25.523 227.839 30.451 -99.200 -91.000 PHE 318 1.000 40.950 239.892 33.425 -99.200 -91.000 TYR 320 0.840 38.994 236.812 38.129 -99.200 -91.000 PHE 323 1.000 30.415 241.150 42.783 -99.200 -91.000 PHE 353 1.000 37.978 212.582 28.152 -99.200 -91.000 PHE 369 1.000 52.453 225.101 37.117 -99.200 -91.000 PHE 371 1.000 41.123 228.315 39.296 -99.200 -91.000