Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.28 C 0.27 Q 0.21 E 0.13 K 0.08 C Shift Assignments>> CA :: 55.221 CB :: 34.188 CG :: 31.208 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 3.851 HB2 :: 1.897 HB3 :: 1.897 HG2 :: 2.467 HG3 :: 2.467 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) 1.I2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 175.454 CA :: 61.054 CB :: 38.943 CG1 :: 27.000 CG2 :: 17.224 CD1 :: 12.836 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> HA :: 4.190 HB :: 1.747 HG12 :: 1.405 HG13 :: 1.129 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.809 HD12 :: 0.809 HD13 :: 0.809 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) 1.Q3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.2 E 0.16 M 0.1 R 0.02 C Shift Assignments>> C :: 175.777 CA :: 55.795 CB :: 29.728 CG :: 34.260 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 8.439 HA :: 4.670 HB2 :: 2.127 HB3 :: 2.092 HG2 :: 2.579 HG3 :: 2.413 HE21 :: 7.553 HE22 :: 6.806 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 123.387 NE2 :: 111.007 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 G 0.18 R 0.16 K 0.1 C Shift Assignments>> C :: 175.091 CA :: 55.436 CB :: 34.479 CG :: 27.293 CD :: 43.786 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.477 HA :: 4.864 HB2 :: 2.253 HB3 :: 1.818 HG2 :: 1.761 HG3 :: 1.705 HD2 :: 3.200 HD3 :: 3.116 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 122.895 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.T5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.8 C 0.17 A 0.01 C Shift Assignments>> CA :: 59.220 CB :: 70.928 CG2 :: 20.217 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.479 HA :: 5.059 HB :: 4.113 HG21 :: 1.332 HG22 :: 1.332 HG23 :: 1.332 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 120.199 Ave N Shift Values>> N :: 115.7(5.05) 1.P6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.77 C 0.22 C Shift Assignments>> C :: 175.890 CA :: 62.687 CB :: 32.056 CG :: 26.903 CD :: 50.457 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.440 HB2 :: 1.546 HB3 :: 1.546 HG2 :: 1.708 HG3 :: 1.131 HD2 :: 3.696 HD3 :: 3.096 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.35 R 0.19 M 0.02 G 0.01 C Shift Assignments>> C :: 176.085 CA :: 55.914 CB :: 32.780 CG :: 25.169 CD :: 29.044 CE :: 42.181 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 9.305 HA :: 4.500 HB2 :: 1.794 HB3 :: 1.794 HG2 :: 1.524 HG3 :: 1.426 HD2 :: 1.653 HD3 :: 1.653 HE2 :: 2.978 HE3 :: 2.978 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 124.671 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 C 0.34 G 0.01 C Shift Assignments>> C :: 174.845 CA :: 61.419 CB :: 41.844 CG1 :: 27.784 CG2 :: 18.323 CD1 :: 15.181 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.488 HA :: 4.739 HB :: 1.662 HG12 :: 1.457 HG13 :: 0.806 HG21 :: 0.782 HG22 :: 0.782 HG23 :: 0.782 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 124.678 Ave N Shift Values>> N :: 121.6(4.72) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.4 Q 0.08 E 0.07 HN Overlap>> 1.L24 1.L24 C Shift Assignments>> C :: 173.723 CA :: 54.939 CB :: 33.276 CG :: 34.371 Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 9.037 HA :: 4.948 HB2 :: 2.418 HB3 :: 2.235 HG2 :: 2.448 HG3 :: 2.446 HE21 :: 6.722 HE22 :: 7.612 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 127.080 NE2 :: 111.561 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 V 0.33 I 0.01 C Shift Assignments>> C :: 175.250 CA :: 60.621 CB :: 34.116 CG1 :: 24.273 CG2 :: 21.052 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.174 HA :: 5.368 HB :: 2.059 HG11 :: 0.991 HG12 :: 0.991 HG13 :: 0.991 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.508 Ave N Shift Values>> N :: 121.02(4.96) 1.Y11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 C Shift Assignments>> C :: 173.333 CA :: 56.239 CB :: 39.235 CD1 :: 134.207 CD2 :: 134.207 CE1 :: 117.539 CE2 :: 117.539 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.497 HA :: 5.343 HB2 :: 3.437 HB3 :: 3.193 HD1 :: 6.847 HD2 :: 6.847 HE1 :: 6.589 HE2 :: 6.589 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 122.922 Ave N Shift Values>> N :: 120.79(4.69) 1.S12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.618 CA :: 56.378 CB :: 65.115 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.438 HA :: 5.304 HB2 :: 3.684 HB3 :: 4.470 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.819 Ave N Shift Values>> N :: 116.3(3.95) 1.R13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 G 0.17 R 0.16 K 0.13 C Shift Assignments>> C :: 175.225 CA :: 59.268 CB :: 33.315 CG :: 25.202 CD :: 43.833 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.948 HA :: 3.886 HB2 :: 2.008 HB3 :: 1.771 HG2 :: 1.428 HG3 :: 0.844 HD2 :: 3.093 HD3 :: 2.776 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 123.215 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.H14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.4 C 0.31 W 0.28 C Shift Assignments>> CA :: 52.495 CB :: 30.438 CD2 :: 121.839 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.332 HA :: 5.370 HB2 :: 3.251 HB3 :: 2.918 HD2 :: 7.065 HE1 :: 7.498 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 114.674 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 176.798 CA :: 64.093 CB :: 31.395 CG :: 28.122 CD :: 50.848 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.560 HB2 :: 2.462 HB3 :: 1.959 HG2 :: 2.275 HG3 :: 2.108 HD2 :: 4.120 HD3 :: 3.822 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.A16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.66 M 0.25 C 0.04 L 0.02 HN Overlap>> 1.Y67 1.Y67 C Shift Assignments>> C :: 176.847 CA :: 53.184 CB :: 19.955 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.178 HA :: 4.097 HB1 :: 1.726 HB2 :: 1.726 HB3 :: 1.726 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.190 Ave N Shift Values>> N :: 123.23(3.7) 1.E17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 M 0.25 E 0.22 Q 0.01 C Shift Assignments>> C :: 175.042 CA :: 55.064 CB :: 32.752 CG :: 36.469 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.017 HA :: 4.411 HB2 :: 1.871 HB3 :: 1.873 HG2 :: 2.182 HG3 :: 2.159 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.755 Ave N Shift Values>> N :: 120.68(3.68) 1.N18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 N 0.44 D 0.03 C Shift Assignments>> C :: 177.449 CA :: 54.257 CB :: 37.013 CG :: 175.143 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.894 HA :: 4.532 HB2 :: 2.805 HB3 :: 2.677 HD21 :: 7.612 HD22 :: 7.252 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.401 ND2 :: 112.302 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.311 CA :: 45.383 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.885 HA2 :: 3.548 HA3 :: 4.226 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 109.141 Ave N Shift Values>> N :: 109.91(4.29) 1.K20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.47 C 0.34 R 0.12 M 0.02 G 0.01 C Shift Assignments>> C :: 175.218 CA :: 54.138 CB :: 33.645 CG :: 24.434 CD :: 28.623 CE :: 42.148 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.944 HA :: 4.706 HB2 :: 1.836 HB3 :: 1.793 HG2 :: 1.357 HG3 :: 1.304 HD2 :: 1.650 HD3 :: 1.579 HE2 :: 2.947 HE3 :: 2.947 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 121.489 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.392 CA :: 59.730 CB :: 62.957 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.461 HA :: 4.268 HB2 :: 3.768 HB3 :: 3.737 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 120.075 Ave N Shift Values>> N :: 116.3(3.95) 1.N22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.19 C 0.14 N 0.13 K 0.06 R 0.05 G 0.03 F 0.03 Y 0.02 C Shift Assignments>> C :: 173.739 CA :: 51.178 CB :: 42.043 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.982 HA :: 4.935 HB2 :: 2.792 HB3 :: 2.567 HD21 :: 7.498 HD22 :: 7.803 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 127.353 ND2 :: 112.068 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.51 C 0.33 G 0.15 C Shift Assignments>> C :: 173.382 CA :: 57.666 CB :: 43.412 CD1 :: 130.806 CD2 :: 130.806 CE1 :: 131.787 CE2 :: 131.787 CZ :: 130.039 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 10.451 HA :: 5.458 HB2 :: 2.713 HB3 :: 2.619 HD1 :: 7.044 HD2 :: 7.044 HE1 :: 7.428 HE2 :: 7.428 HZ :: 7.347 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.877 Ave N Shift Values>> N :: 120.69(4.18) 1.L24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.5 L 0.25 C 0.2 R 0.02 HN Overlap>> 1.Q9 1.Q9 C Shift Assignments>> C :: 173.154 CA :: 53.192 CB :: 41.632 CG :: 26.031 CD1 :: 26.184 CD2 :: 20.745 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.047 HA :: 3.689 HB2 :: 0.818 HB3 :: -0.839(S) HG :: 0.689 HD11 :: 0.042 HD12 :: 0.042 HD13 :: 0.042 HD21 :: -0.560(S) HD22 :: -0.560(S) HD23 :: -0.560(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.055 Ave N Shift Values>> N :: 121.98(4.07) 1.N25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.34 N 0.17 L 0.17 C 0.13 K 0.06 F 0.03 R 0.03 Y 0.02 C Shift Assignments>> C :: 173.420 CA :: 51.560 CB :: 41.539 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 8.185 HA :: 5.435 HB2 :: 1.861 HB3 :: 1.431(S) Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 121.535 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.21 K 0.13 C 0.1 N 0.08 F 0.06 R 0.05 Y 0.05 C Shift Assignments>> C :: 171.485 CA :: 53.889 CB :: 41.567 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.656 HA :: 5.191 HB2 :: 3.308 HB3 :: 2.571 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.694 Ave N Shift Values>> N :: 119.95(4.79) 1.Y27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.61 C 0.38 C Shift Assignments>> C :: 174.413 CA :: 56.160 CB :: 40.866 CD1 :: 133.036 CD2 :: 133.036 CE1 :: 117.718 CE2 :: 117.718 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.737 HA :: 5.484 HB2 :: 3.232 HB3 :: 3.232 HD1 :: 7.253 HD2 :: 7.253 HE1 :: 6.689 HE2 :: 6.689 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 129.683 Ave N Shift Values>> N :: 120.79(4.69) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 174.261 CA :: 59.835 CB :: 33.587 CG1 :: 23.697 CG2 :: 21.978 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.862 HA :: 5.211 HB :: 1.939 HG11 :: 0.777 HG12 :: 0.777 HG13 :: 0.777 HG21 :: 0.949 HG22 :: 0.949 HG23 :: 0.949 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.090 Ave N Shift Values>> N :: 121.02(4.96) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 S 0.37 C Shift Assignments>> C :: 174.389 CA :: 57.092 CB :: 67.512 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.997 HA :: 5.713 HB2 :: 3.833 HB3 :: 3.406 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.477 Ave N Shift Values>> N :: 116.3(3.95) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.13 L 0.05 C Shift Assignments>> C :: 173.420 CA :: 46.459 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.215 HA2 :: 4.116 HA3 :: 3.859 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.185 Ave N Shift Values>> N :: 109.91(4.29) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.39 C 0.3 F 0.27 G 0.02 C Shift Assignments>> C :: 174.352 CA :: 53.902 CB :: 42.043 CE1 :: 132.091 CE2 :: 132.091 CZ :: 129.634 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 7.241 HA :: 4.902 HB2 :: 2.377 HB3 :: 2.013 HD1 :: 7.041 HD2 :: 7.041 HE1 :: 7.306 HE2 :: 7.306 HZ :: 6.994 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 111.047 Ave N Shift Values>> N :: 120.69(4.18) 1.H32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.17 K 0.15 M 0.14 E 0.1 V 0.05 W 0.04 R 0.03 H 0.02 Y 0.01 I 0.01 C Shift Assignments>> CA :: 57.968 CB :: 34.137 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.718 HA :: 4.544 HB2 :: 3.354 HB3 :: 3.183 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.846 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.P33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.75 P 0.23 C Shift Assignments>> C :: 176.721 CA :: 62.580 CB :: 34.994 CG :: 25.014 CD :: 50.504 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.818 HB2 :: 2.417 HB3 :: 2.410 HG2 :: 2.045 HG3 :: 1.701 HD2 :: 3.721 HD3 :: 3.677 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.S34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.689 CA :: 60.847 CB :: 62.282 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.372 HA :: 3.554 HB2 :: 3.290 HB3 :: 1.760(S) Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 112.232 Ave N Shift Values>> N :: 116.3(3.95) 1.D35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.14 C 0.13 F 0.12 N 0.12 Y 0.11 K 0.06 I 0.01 C Shift Assignments>> C :: 173.979 CA :: 54.930 CB :: 40.391 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.264 HA :: 4.381 HB2 :: 2.433 HB3 :: 2.355 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.204 Ave N Shift Values>> N :: 120.73(4.2) 1.I36 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 171.756 CA :: 60.909 CB :: 40.991 CG1 :: 28.833 CG2 :: 15.221 CD1 :: 13.074 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.003 HA :: 4.594 HB :: 1.425 HG12 :: 1.533 HG13 :: 0.685 HG21 :: 0.618 HG22 :: 0.618 HG23 :: 0.618 HD11 :: -0.508(S) HD12 :: -0.508(S) HD13 :: -0.508(S) Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.639 Ave N Shift Values>> N :: 121.6(4.72) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 M 0.31 E 0.2 Q 0.03 C Shift Assignments>> C :: 174.198 CA :: 54.919 CB :: 32.676 CG :: 35.876 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.047 HA :: 4.609 HB2 :: 1.921 HB3 :: 1.747 HG2 :: 2.089 HG3 :: 2.091 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.553 Ave N Shift Values>> N :: 120.68(3.68) 1.V38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.59 C 0.4 HN Overlap>> 1.V86 1.V86 C Shift Assignments>> C :: 173.371 CA :: 60.788 CB :: 34.094 CG1 :: 21.760 CG2 :: 21.603 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.049 HA :: 4.647 HB :: 0.405(S) HG11 :: 0.514 HG12 :: 0.514 HG13 :: 0.514 HG21 :: 0.264 HG22 :: 0.264 HG23 :: 0.264 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.090 Ave N Shift Values>> N :: 121.02(4.96) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.1 L 0.07 C Shift Assignments>> C :: 174.269 CA :: 52.609 CB :: 46.148 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.857 HA :: 4.978 HB2 :: 2.428 HB3 :: 2.193 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 122.548 Ave N Shift Values>> N :: 120.73(4.2) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.21 G 0.17 R 0.14 C Shift Assignments>> C :: 174.483 CA :: 53.564 CB :: 43.753 CG :: 27.626 CD1 :: 26.186 CD2 :: 24.834 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.130 HA :: 5.034 HB2 :: 1.702 HB3 :: 1.237 HG :: 1.629 HD11 :: 0.751 HD12 :: 0.751 HD13 :: 0.751 HD21 :: 0.772 HD22 :: 0.772 HD23 :: 0.772 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.029 Ave N Shift Values>> N :: 121.98(4.07) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.55 L 0.18 C 0.14 A 0.11 C Shift Assignments>> C :: 175.371 CA :: 52.822 CB :: 45.571 CG :: 26.871 CD1 :: 26.080 CD2 :: 22.345 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.009 HA :: 5.014 HB2 :: 1.602 HB3 :: 0.799 HG :: 1.202 HD11 :: 0.611 HD12 :: 0.611 HD13 :: 0.611 HD21 :: 0.408 HD22 :: 0.408 HD23 :: 0.408 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 120.142 Ave N Shift Values>> N :: 121.98(4.07) 1.K42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.2 M 0.03 C Shift Assignments>> C :: 176.391 CA :: 54.224 CB :: 34.270 CG :: 25.282 CD :: 29.781 CE :: 41.944 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.851 HA :: 4.401 HB2 :: 1.757 HB3 :: 1.471 HG2 :: 0.816 HG3 :: 0.560 HD2 :: 1.771 HD3 :: 1.632 HE2 :: 2.991 HE3 :: 2.991 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 120.847 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.28 C 0.26 Y 0.12 E 0.11 F 0.07 D 0.05 M 0.04 K 0.01 I 0.01 C Shift Assignments>> C :: 175.602 CA :: 54.457 CB :: 37.340 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.808 HA :: 4.387 HB2 :: 2.892 HB3 :: 2.867 HD21 :: 7.850 HD22 :: 8.010 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 128.442 ND2 :: 118.199 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.78 L 0.08 C 0.07 R 0.03 C Shift Assignments>> C :: 173.030 CA :: 45.353 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.931 HA2 :: 4.177 HA3 :: 3.331 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.435 Ave N Shift Values>> N :: 109.91(4.29) 1.E45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 M 0.29 E 0.24 Q 0.04 K 0.02 C Shift Assignments>> C :: 175.642 CA :: 54.229 CB :: 31.794 CG :: 35.944 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 7.826 HA :: 4.591 HB2 :: 2.059 HB3 :: 1.968 HG2 :: 2.307 HG3 :: 2.180 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 120.745 Ave N Shift Values>> N :: 120.68(3.68) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 C 0.36 K 0.13 G 0.07 C Shift Assignments>> C :: 176.247 CA :: 57.685 CB :: 30.612 CG :: 28.002 CD :: 43.440 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 8.778 HA :: 4.181 HB2 :: 1.659 HB3 :: 1.614 HG2 :: 1.541 HG3 :: 1.340 HD2 :: 3.149 HD3 :: 3.057 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 124.489 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.I47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.74 C 0.25 C Shift Assignments>> C :: 175.934 CA :: 61.872 CB :: 38.881 CG1 :: 28.164 CG2 :: 17.710 CD1 :: 13.903 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.879 HA :: 3.990 HB :: 1.537 HG12 :: 1.717 HG13 :: 1.035 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 HD11 :: 0.870 HD12 :: 0.870 HD13 :: 0.870 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 128.888 Ave N Shift Values>> N :: 121.6(4.72) 1.E48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.35 I 0.11 M 0.07 K 0.04 Q 0.02 C Shift Assignments>> C :: 177.164 CA :: 58.600 CB :: 30.521 CG :: 36.453 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.574 HA :: 4.189 HB2 :: 2.111 HB3 :: 2.025 HG2 :: 2.261 HG3 :: 2.382 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 126.490 Ave N Shift Values>> N :: 120.68(3.68) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.31 R 0.28 M 0.02 C Shift Assignments>> C :: 174.507 CA :: 55.770 CB :: 30.744 CG :: 24.775 CD :: 28.999 CE :: 42.071 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.154 HA :: 4.527 HB2 :: 1.954 HB3 :: 1.803 HG2 :: 1.448 HG3 :: 1.389 HD2 :: 1.733 HD3 :: 1.734 HE2 :: 3.032 HE3 :: 3.032 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.44 C Shift Assignments>> C :: 174.786 CA :: 60.924 CB :: 34.800 CG1 :: 22.518 CG2 :: 21.480 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 7.924 HA :: 4.392 HB :: 2.136 HG11 :: 1.107 HG12 :: 1.107 HG13 :: 1.107 HG21 :: 1.057 HG22 :: 1.057 HG23 :: 1.057 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.317 Ave N Shift Values>> N :: 121.02(4.96) 1.E51 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.46 M 0.28 E 0.21 Q 0.01 C Shift Assignments>> C :: 174.054 CA :: 54.320 CB :: 32.414 CG :: 36.327 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.460 HA :: 4.485 HB2 :: 1.600 HB3 :: 0.754(S) HG2 :: 2.087 HG3 :: 2.084 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.405 Ave N Shift Values>> N :: 120.68(3.68) 1.H52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.35 C 0.33 H 0.31 HN Overlap>> 1.Y64 1.Y64 C Shift Assignments>> C :: 175.008 CA :: 53.605 CB :: 30.549 CD2 :: 123.651 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 8.217 HA :: 5.553 HB2 :: 2.447 HB3 :: 2.018 HD2 :: 6.858 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 111.473 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.366 CA :: 57.494 CB :: 65.625 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.216 HA :: 4.665 HB2 :: 4.491 HB3 :: 4.121 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.940 Ave N Shift Values>> N :: 116.3(3.95) 1.D54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.17 C 0.12 N 0.1 K 0.1 F 0.1 Y 0.09 R 0.02 C Shift Assignments>> C :: 176.835 CA :: 54.664 CB :: 40.821 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.722 HA :: 4.807 HB2 :: 2.766 HB3 :: 2.585 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.110 Ave N Shift Values>> N :: 120.73(4.2) 1.L55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 C 0.29 R 0.14 G 0.02 C Shift Assignments>> C :: 176.281 CA :: 56.638 CB :: 42.593 CG :: 27.030 CD1 :: 25.854 CD2 :: 24.215 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.892 HA :: 4.370 HB2 :: 1.860 HB3 :: 1.697 HG :: 1.733 HD11 :: 0.904 HD12 :: 0.904 HD13 :: 0.904 HD21 :: 1.102 HD22 :: 1.102 HD23 :: 1.102 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 126.160 Ave N Shift Values>> N :: 121.98(4.07) 1.S56 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 170.603 CA :: 57.328 CB :: 65.350 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.099 HA :: 4.826 HB2 :: 3.437 HB3 :: 2.729(S) HG :: 5.319 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.501 Ave N Shift Values>> N :: 116.3(3.95) 1.F57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 G 0.01 C Shift Assignments>> CA :: 56.023 CB :: 42.012 CD1 :: 131.751 CD2 :: 131.751 CE1 :: 130.794 CE2 :: 130.794 CZ :: 129.476 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.199 HA :: 5.161 HB2 :: 2.618 HB3 :: 2.618 HD1 :: 6.440 HD2 :: 6.440 HE1 :: 7.013 HE2 :: 7.013 HZ :: 7.016 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 119.141 Ave N Shift Values>> N :: 120.69(4.18) 1.S58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.448 CA :: 57.177 CB :: 65.498 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.742 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.35 R 0.22 M 0.02 C Shift Assignments>> C :: 176.544 CA :: 58.439 CB :: 31.747 CG :: 24.493 CD :: 28.956 CE :: 41.896 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.493 HA :: 3.790 HB2 :: 1.743 HB3 :: 1.743 HG2 :: 1.397 HG3 :: 1.397 HD2 :: 1.645 HD3 :: 1.645 HE2 :: 2.972 HE3 :: 2.972 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 112.972 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 L 0.19 K 0.13 C 0.11 F 0.09 N 0.08 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.323 CA :: 54.545 CB :: 41.151 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.714 HA :: 4.578 HB2 :: 2.804 HB3 :: 2.611 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.427 Ave N Shift Values>> N :: 120.73(4.2) 1.W61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.58 C 0.39 H 0.01 C Shift Assignments>> CA :: 56.909 CB :: 28.012 CD1 :: 126.016 CZ2 :: 114.303 CZ3 :: 121.788 CH2 :: 124.478 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 7.715 HA :: 4.336 HB2 :: 2.305 HB3 :: 2.305 HD1 :: 6.894 HE1 :: 10.220 HZ2 :: 7.392 HZ3 :: 6.882 HH2 :: 7.116 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 124.020 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 56.225 CB :: 65.196 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> HA :: 4.561 HB2 :: 3.905 HB3 :: 3.722 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.F63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> F 0.62 C 0.36 C Shift Assignments>> C :: 174.351 CA :: 58.327 CB :: 41.781 CD1 :: 132.258 CD2 :: 132.258 CE1 :: 131.545 CE2 :: 131.545 CZ :: 129.727 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> HA :: 4.519 HB2 :: 2.967 HB3 :: 2.967 HD1 :: 7.363 HD2 :: 7.363 HE1 :: 7.315 HE2 :: 7.315 HZ :: 7.219 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) 1.Y64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Y 0.49 HN Overlap>> 1.H52 1.H52 C Shift Assignments>> C :: 174.126 CA :: 56.564 CB :: 40.625 CD1 :: 134.340 CD2 :: 134.340 CE1 :: 117.729 CE2 :: 117.729 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.212 HA :: 5.549 HB2 :: 3.054 HB3 :: 2.864 HD1 :: 7.065 HD2 :: 7.065 HE1 :: 6.670 HE2 :: 6.670 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 111.478 Ave N Shift Values>> N :: 120.79(4.69) 1.L65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.28 L 0.19 HN Overlap>> 1.C81 1.C81 C Shift Assignments>> C :: 172.366 CA :: 55.699 CB :: 46.778 CG :: 27.567 CD1 :: 25.955 CD2 :: 25.539 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 9.197 HA :: 4.661 HB2 :: 2.034 HB3 :: 1.811 HG :: 1.815 HD11 :: 1.084 HD12 :: 1.084 HD13 :: 1.084 HD21 :: 1.001 HD22 :: 1.001 HD23 :: 1.001 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 119.817 Ave N Shift Values>> N :: 121.98(4.07) 1.L66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 G 0.35 L 0.19 A 0.02 C Shift Assignments>> C :: 175.153 CA :: 53.890 CB :: 46.726 CG :: 28.057 CD1 :: 25.881 CD2 :: 23.884 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.196 HA :: 5.504 HB2 :: 2.030 HB3 :: 1.605 HG :: 1.587 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 1.070 HD22 :: 1.070 HD23 :: 1.070 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 121.902 Ave N Shift Values>> N :: 121.98(4.07) 1.Y67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.37 G 0.01 HN Overlap>> 1.A16 1.A16 C Shift Assignments>> C :: 174.965 CA :: 56.899 CB :: 42.056 CD1 :: 131.949 CD2 :: 131.949 CE1 :: 118.656 CE2 :: 118.656 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.152 HA :: 5.416 HB2 :: 3.084 HB3 :: 2.686 HD1 :: 7.024 HD2 :: 7.024 HE1 :: 6.685 HE2 :: 6.685 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 127.210 Ave N Shift Values>> N :: 120.79(4.69) 1.Y68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.6 C 0.39 C Shift Assignments>> C :: 173.577 CA :: 55.914 CB :: 41.141 CD1 :: 133.450 CD2 :: 133.450 CE1 :: 117.837 CE2 :: 117.837 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 8.955 HA :: 6.019 HB2 :: 3.268 HB3 :: 2.652 HD1 :: 6.734 HD2 :: 6.734 HE1 :: 6.569 HE2 :: 6.569 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 116.595 Ave N Shift Values>> N :: 120.79(4.69) 1.T69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 171.293 CA :: 60.119 CB :: 70.082 CG2 :: 19.523 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.327 HA :: 4.890 HB :: 4.130 HG21 :: 0.952 HG22 :: 0.952 HG23 :: 0.952 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 111.854 Ave N Shift Values>> N :: 115.7(5.05) 1.E70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 K 0.1 M 0.07 Q 0.05 I 0.05 C Shift Assignments>> C :: 175.637 CA :: 56.666 CB :: 29.821 CG :: 36.174 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.587 HA :: 4.270 HB2 :: 1.839 HB3 :: 1.700 HG2 :: 1.894 HG3 :: 1.894 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 130.304 Ave N Shift Values>> N :: 120.68(3.68) 1.F71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.64 C 0.34 C Shift Assignments>> C :: 171.722 CA :: 55.301 CB :: 41.047 CD1 :: 131.672 CD2 :: 131.672 CE1 :: 129.836 CE2 :: 129.836 CZ :: 128.127 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.754 HA :: 4.828 HB2 :: 2.817 HB3 :: 2.670 HD1 :: 6.228 HD2 :: 6.228 HE1 :: 6.238 HE2 :: 6.238 HZ :: 5.723 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 125.914 Ave N Shift Values>> N :: 120.69(4.18) 1.T72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.77 C 0.18 A 0.03 C Shift Assignments>> CA :: 58.544 CB :: 70.014 CG2 :: 20.504 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.379 HA :: 4.497 HB :: 3.884 HG21 :: 0.862 HG22 :: 0.862 HG23 :: 0.862 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 117.396 Ave N Shift Values>> N :: 115.7(5.05) 1.P73 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.79 C 0.2 C Shift Assignments>> C :: 174.839 CA :: 63.114 CB :: 32.062 CG :: 26.731 CD :: 51.080 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.602 HB2 :: 2.456 HB3 :: 2.209 HG2 :: 2.021 HG3 :: 1.430 HD2 :: 4.031 HD3 :: 2.224(S) Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.T74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.66 C 0.33 C Shift Assignments>> C :: 175.170 CA :: 60.060 CB :: 72.823 CG2 :: 21.444 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 8.099 HA :: 4.654 HB :: 4.555 HG1 :: 4.824 HG21 :: 1.331 HG22 :: 1.331 HG23 :: 1.331 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.354 Ave N Shift Values>> N :: 115.7(5.05) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.15 K 0.06 M 0.04 Q 0.03 C Shift Assignments>> C :: 177.804 CA :: 58.994 CB :: 29.951 CG :: 36.306 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 9.138 HA :: 4.213 HB2 :: 2.107 HB3 :: 2.059 HG2 :: 2.364 HG3 :: 2.288 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 118.753 Ave N Shift Values>> N :: 120.68(3.68) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.42 R 0.11 M 0.01 C Shift Assignments>> C :: 176.811 CA :: 56.322 CB :: 34.036 CG :: 24.497 CD :: 28.629 CE :: 41.964 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 7.890 HA :: 4.482 HB2 :: 1.875 HB3 :: 1.798 HG2 :: 1.406 HG3 :: 1.406 HD2 :: 1.675 HD3 :: 1.675 HE2 :: 2.993 HE3 :: 2.993 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 113.637 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.27 C 0.11 D 0.08 K 0.07 G 0.06 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.091 CA :: 55.437 CB :: 43.401 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.162 HA :: 5.127 HB2 :: 2.865 HB3 :: 2.151 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 118.081 Ave N Shift Values>> N :: 120.73(4.2) 1.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 M 0.22 E 0.2 C Shift Assignments>> C :: 174.915 CA :: 54.804 CB :: 32.813 CG :: 36.827 Ave C Shift Values>> C :: 176.93(2.11) CA :: 57.42(2.19) CB :: 30.07(1.84) CG :: 36.01(1.51) CD :: 181.94(1.85) H Shift Assignments>> H :: 8.646 HA :: 4.815 HB2 :: 2.083 HB3 :: 1.994 HG2 :: 2.405 HG3 :: 2.123 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 122.941 Ave N Shift Values>> N :: 120.68(3.68) 1.Y79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.48 C 0.39 G 0.12 C Shift Assignments>> C :: 175.263 CA :: 56.803 CB :: 43.146 CD1 :: 133.513 CD2 :: 133.513 CE1 :: 117.424 CE2 :: 117.424 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.602 HA :: 5.639 HB2 :: 2.838 HB3 :: 2.755 HD1 :: 7.137 HD2 :: 7.137 HE1 :: 6.941 HE2 :: 6.941 Ave H Shift Values>> H :: 8.37(0.75) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.91(0.37) HD1 :: 6.87(0.65) HD2 :: 6.86(0.68) HE1 :: 6.64(0.58) HE2 :: 6.63(0.61) HH :: 9.25(1.34) N Shift Assignments>> N :: 123.831 Ave N Shift Values>> N :: 120.79(4.69) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.39 C 0.21 P 0.15 K 0.11 M 0.03 R 0.03 A 0.03 C Shift Assignments>> C :: 173.559 CA :: 51.015 CB :: 24.287 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.796 HA :: 5.060 HB1 :: 1.222 HB2 :: 1.222 HB3 :: 1.222 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.091 Ave N Shift Values>> N :: 123.23(3.7) 1.C81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.17 G 0.15 D 0.14 C 0.12 K 0.03 F 0.02 N 0.01 Y 0.01 HN Overlap>> 1.L65 1.L65 C Shift Assignments>> C :: 171.163 CA :: 52.911 CB :: 43.491 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.149 HA :: 5.158 HB2 :: 3.071 HB3 :: 2.627 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.892 Ave N Shift Values>> N :: 119.95(4.79) 1.R82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 G 0.23 R 0.18 K 0.09 C Shift Assignments>> C :: 173.974 CA :: 53.770 CB :: 33.923 CG :: 26.456 CD :: 43.762 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.447 HA :: 5.424 HB2 :: 1.810 HB3 :: 1.191 HG2 :: 1.325 HG3 :: 1.240 HD2 :: 3.109 HD3 :: 2.921 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 128.503 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.V83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.67 V 0.3 I 0.01 C Shift Assignments>> C :: 173.277 CA :: 60.330 CB :: 35.841 CG1 :: 23.269 CG2 :: 21.641 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.092 HA :: 4.982 HB :: 1.684 HG11 :: 0.820 HG12 :: 0.820 HG13 :: 0.820 HG21 :: 0.614 HG22 :: 0.614 HG23 :: 0.614 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 128.121 Ave N Shift Values>> N :: 121.02(4.96) 1.N84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.43 D 0.35 C 0.19 G 0.01 C Shift Assignments>> C :: 172.811 CA :: 51.133 CB :: 41.516 CG :: 175.837 Ave C Shift Values>> C :: 175.16(1.76) CA :: 53.43(1.94) CB :: 38.66(1.78) CG :: 176.61(1.33) H Shift Assignments>> H :: 9.065 HA :: 5.221 HB2 :: 2.817 HB3 :: 2.430 HD21 :: 7.446 HD22 :: 6.688 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 123.556 ND2 :: 110.963 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.H85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 Y 0.29 W 0.03 H 0.02 C Shift Assignments>> C :: 175.133 CA :: 56.991 CB :: 36.203 CD2 :: 120.298 Ave C Shift Values>> C :: 175.19(2.14) CA :: 56.37(2.4) CB :: 29.95(2.15) CG :: 130.59(3.41) CD2 :: 119.84(3.3) CE1 :: 136.05(3.58) H Shift Assignments>> H :: 7.726 HA :: 4.560 HB2 :: 2.921 HB3 :: 2.426 HD2 :: 7.623 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 122.837 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.86 C 0.13 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 175.289 CA :: 64.450 CB :: 31.303 CG1 :: 20.675 CG2 :: 19.650 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 8.107 HA :: 3.998 HB :: 1.981 HG11 :: 0.890 HG12 :: 0.890 HG13 :: 0.890 HG21 :: 0.617 HG22 :: 0.617 HG23 :: 0.617 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.039 Ave N Shift Values>> N :: 121.02(4.96) 1.T87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.87 C 0.12 C Shift Assignments>> C :: 174.522 CA :: 63.180 CB :: 69.898 CG2 :: 23.546 Ave C Shift Values>> C :: 174.6(1.8) CA :: 62.15(2.72) CB :: 69.64(1.7) CG2 :: 21.44(1.39) H Shift Assignments>> H :: 7.510 HA :: 4.180 HB :: 4.537 HG21 :: 1.499 HG22 :: 1.499 HG23 :: 1.499 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.646 Ave N Shift Values>> N :: 115.7(5.05) 1.L88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.21 R 0.08 G 0.05 A 0.05 C Shift Assignments>> CA :: 53.366 CB :: 42.736 CG :: 26.513 CD1 :: 26.686 CD2 :: 23.236 Ave C Shift Values>> C :: 176.97(2.09) CA :: 55.65(2.21) CB :: 42.37(1.86) CG :: 26.77(1.25) CD1 :: 24.73(1.71) CD2 :: 24.1(1.78) H Shift Assignments>> H :: 8.124 HA :: 4.790 HB2 :: 2.062 HB3 :: 1.835 HG :: 1.721 HD11 :: 0.974 HD12 :: 0.974 HD13 :: 0.974 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 123.469 Ave N Shift Values>> N :: 121.98(4.07) 1.S89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> C :: 174.041 CA :: 60.388 CB :: 62.998 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.838 HA :: 4.255 HB2 :: 4.001 HB3 :: 3.966 HG :: 4.823 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) 1.Q90 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.99 C Shift Assignments>> CA :: 53.190 CB :: 29.818 CG :: 32.928 CD :: 171.365(A) Ave C Shift Values>> C :: 176.39(1.96) CA :: 56.62(2.19) CB :: 29.1(1.97) CG :: 33.72(1.1) CD :: 179.68(1.17) H Shift Assignments>> H :: 7.530 HA :: 4.764 HB2 :: 2.173 HB3 :: 1.903 HG2 :: 2.310 HG3 :: 2.275 HE21 :: 7.607 HE22 :: 6.894 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.161 NE2 :: 112.486 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> C :: 175.799 CA :: 63.567 CB :: 31.884 CG :: 27.621 CD :: 50.117 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 4.526 HB2 :: 1.857 HB3 :: 1.508 HG2 :: 2.015 HG3 :: 1.784 HD2 :: 3.765 HD3 :: 3.524 Ave H Shift Values>> HA :: 4.41(0.36) HB2 :: 2.05(0.39) HB3 :: 2.05(0.39) HG2 :: 1.93(0.36) HG3 :: 1.92(0.37) HD2 :: 3.64(0.36) HD3 :: 3.63(0.4) 1.K92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.37 R 0.22 M 0.01 C Shift Assignments>> C :: 174.574 CA :: 55.004 CB :: 35.378 CG :: 25.337 CD :: 29.179 CE :: 42.012 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.821 HA :: 4.532 HB2 :: 1.778 HB3 :: 1.661 HG2 :: 1.418 HG3 :: 1.329 HD2 :: 1.699 HD3 :: 1.702 HE2 :: 3.004 HE3 :: 3.006 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 125.613 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.34 C Shift Assignments>> C :: 175.802 CA :: 60.464 CB :: 38.825 CG1 :: 28.401 CG2 :: 18.353 CD1 :: 13.064 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 8.621 HA :: 4.818 HB :: 1.703 HG12 :: 1.441 HG13 :: 0.752 HG21 :: 0.631 HG22 :: 0.631 HG23 :: 0.631 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 125.553 Ave N Shift Values>> N :: 121.6(4.72) 1.V94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.65 C 0.34 C Shift Assignments>> C :: 175.103 CA :: 61.445 CB :: 34.110 CG1 :: 21.593 CG2 :: 21.617 Ave C Shift Values>> C :: 175.69(2.03) CA :: 62.48(3.04) CB :: 32.66(1.91) CG1 :: 21.38(1.53) CG2 :: 21.31(1.76) H Shift Assignments>> H :: 9.133 HA :: 4.342 HB :: 1.900 HG11 :: 1.046 HG12 :: 1.046 HG13 :: 1.046 HG21 :: 0.929 HG22 :: 0.929 HG23 :: 0.929 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 130.048 Ave N Shift Values>> N :: 121.02(4.96) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.38 C 0.37 R 0.2 M 0.02 C Shift Assignments>> C :: 176.222 CA :: 56.655 CB :: 33.609 CG :: 25.404 CD :: 29.444 CE :: 41.850 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.895 HA :: 4.440 HB2 :: 1.882 HB3 :: 1.842 HG2 :: 1.564 HG3 :: 1.443 HD2 :: 1.706 HD3 :: 1.706 HE2 :: 2.984 HE3 :: 2.984 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 127.920 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.57 C 0.41 C Shift Assignments>> C :: 174.318 CA :: 56.902 CB :: 28.277 CD1 :: 125.265 CE3 :: 121.411 CZ2 :: 113.460 CZ3 :: 121.906 CH2 :: 123.659 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.762 HA :: 4.660 HB2 :: 3.537 HB3 :: 2.621 HD1 :: 7.139 HE1 :: 10.540 HE3 :: 8.033 HZ2 :: 7.667 HZ3 :: 7.544 HH2 :: 6.980 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 122.441 NE1 :: 129.615 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.D97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 N 0.11 C 0.11 K 0.1 R 0.05 F 0.04 Y 0.03 C Shift Assignments>> C :: 175.071 CA :: 52.830 CB :: 41.725 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.564 HA :: 4.515 HB2 :: 2.800 HB3 :: 2.467 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 131.776 Ave N Shift Values>> N :: 120.73(4.2) 1.R98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 R 0.29 K 0.17 G 0.1 L 0.06 C Shift Assignments>> C :: 175.659 CA :: 56.662 CB :: 29.893 CG :: 24.927 CD :: 43.627 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 7.601 HA :: 3.472 HB2 :: 1.447 HB3 :: 1.064 HG2 :: 1.179 HG3 :: 0.933 HD2 :: 2.982 HD3 :: 2.934 Ave H Shift Values>> H :: 8.24(0.6) HA :: 4.27(0.44) HB2 :: 1.79(0.28) HB3 :: 1.78(0.28) HG2 :: 1.58(0.27) HG3 :: 1.58(0.27) HD2 :: 3.13(0.23) HD3 :: 3.13(0.22) HE :: 7.32(0.52) HH11 :: 6.74(0.31) HH12 :: 6.75(0.32) HH21 :: 6.72(0.32) HH22 :: 6.72(0.33) N Shift Assignments>> N :: 121.354 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) 1.D99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.25 L 0.19 K 0.14 C 0.11 F 0.09 N 0.07 Y 0.07 R 0.03 C Shift Assignments>> C :: 175.218 CA :: 54.653 CB :: 41.220 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 8.259 HA :: 4.687 HB2 :: 2.796 HB3 :: 2.604 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 120.140 Ave N Shift Values>> N :: 120.73(4.2) 1.M100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 M 0.33 Q 0.14 E 0.12 K 0.02 C Shift Assignments>> CA :: 57.248 CB :: 34.006 CG :: 32.402 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 7.614 HA :: 4.311 HB2 :: 2.183 HB3 :: 2.046 HG2 :: 2.598 HG3 :: 2.554 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.307 Ave N Shift Values>> N :: 120.1(3.88) ########################################################################### Overall Results: #Consistent: 91 #Clerical: 0 #Suspicious: 8 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 99 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 100 #Suspicious: 0 C Shift Results: #Consistent: 459 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 1 H Shift Results: #Consistent: 698 #Duplicate: 0 #Unknown: 0 #Suspicious: 13 #Anomalous: 0 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L24 HB3 = -0.839(S), Expected = 1.57, Std = 0.3600, ChiSquare = 2.2064e-11 1.L24 HD21 = -0.560(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4256e-06 1.L24 HD22 = -0.560(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4256e-06 1.L24 HD23 = -0.560(S), Expected = 0.76, Std = 0.2800, ChiSquare = 2.4256e-06 1.N25 HB3 = 1.431(S), Expected = 2.78, Std = 0.3400, ChiSquare = 7.2586e-05 1.S34 HB3 = 1.760(S), Expected = 3.87, Std = 0.3100, ChiSquare = 1.0004e-11 1.I36 HD11 = -0.508(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.6573e-05 1.I36 HD12 = -0.508(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.6573e-05 1.I36 HD13 = -0.508(S), Expected = 0.70, Std = 0.3000, ChiSquare = 5.6573e-05 1.V38 HB = 0.405(S), Expected = 1.99, Std = 0.3300, ChiSquare = 1.5628e-06 1.E51 HB3 = 0.754(S), Expected = 2.04, Std = 0.2300, ChiSquare = 2.2537e-08 1.S56 HB3 = 2.729(S), Expected = 3.87, Std = 0.3100, ChiSquare = 2.3264e-04 1.P73 HD3 = 2.224(S), Expected = 3.63, Std = 0.4000, ChiSquare = 4.3975e-04 1.Q90 Typing: Mistyped 1.Q90 CD = 171.365(A), Expected = 179.68, Std = 1.1700, ChiSquare = 1.1873e-12