Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.T1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> T 0.99 C Shift Assignments>> C :: 172.388 CA :: 62.668 CB :: 71.101 CG2 :: 21.100 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>> HA :: 4.481 HB :: 3.795 HG21 :: 1.061 HG22 :: 1.061 HG23 :: 1.061 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) 1.K2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.62 R 0.31 M 0.04 G 0.01 HN Overlap>> 1.V52 1.V52 C Shift Assignments>> C :: 175.326 CA :: 56.121 CB :: 33.230 CG :: 25.151 CD :: 29.420 CE :: 41.963 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 :: 8.652 HA :: 4.936 HB2 :: 1.796 HB3 :: 1.727 HG2 :: 1.453 HG3 :: 1.294 HD2 :: 1.643 HD3 :: 1.643 HE2 :: 2.890 HE3 :: 2.890 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 :: 127.242 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.452 CA :: 61.354 CB :: 35.695 CG1 :: 21.022 CG2 :: 21.190 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 :: 8.774 HA :: 4.351 HB :: 1.697 HG11 :: 0.798 HG12 :: 0.798 HG13 :: 0.798 HG21 :: 0.728 HG22 :: 0.728 HG23 :: 0.728 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 :: 124.462 Ave N Shift Values>> N :: 121.02(4.96) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.502 CA :: 61.666 CB :: 70.371 CG2 :: 21.875 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 :: 8.764 HA :: 5.159 HB :: 3.933 HG21 :: 0.978 HG22 :: 0.978 HG23 :: 0.978 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 :: 123.809 Ave N Shift Values>> N :: 115.7(5.05) 1.L5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 G 0.26 A 0.05 R 0.04 C Shift Assignments>> C :: 175.044 CA :: 53.063 CB :: 43.850 CG :: 26.403 CD1 :: 25.978 CD2 :: 23.320 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 :: 9.127 HA :: 4.832 HB2 :: 1.896 HB3 :: 1.312 HG :: 1.488 HD11 :: 0.782 HD12 :: 0.782 HD13 :: 0.782 HD21 :: 0.765 HD22 :: 0.765 HD23 :: 0.765 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 :: 126.549 Ave N Shift Values>> N :: 121.98(4.07) 1.V6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.866 CA :: 61.327 CB :: 34.320 CG1 :: 21.058 CG2 :: 21.225 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 :: 8.644 HA :: 4.664 HB :: 1.925 HG11 :: 0.863 HG12 :: 0.863 HG13 :: 0.863 HG21 :: 0.846 HG22 :: 0.846 HG23 :: 0.846 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 :: 122.859 Ave N Shift Values>> N :: 121.02(4.96) 1.K7 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.56 R 0.38 M 0.04 C Shift Assignments>> C :: 176.835 CA :: 56.984 CB :: 33.853 CG :: 25.776 CD :: 30.069 CE :: 41.682 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 :: 8.402 HA :: 4.280 HB2 :: 1.814 HB3 :: 1.521 HG2 :: 1.165 HG3 :: 0.912 HD2 :: 1.389 HD3 :: 1.341 HE2 :: 2.272 HE3 :: 2.144(S) 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 :: 126.113 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 174.454 CA :: 59.172 CB :: 65.055 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.575 HA :: 4.559 HB2 :: 4.026 HB3 :: 3.872 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 :: 121.132 Ave N Shift Values>> N :: 116.3(3.95) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 K 0.25 G 0.1 C Shift Assignments>> C :: 176.755 CA :: 55.179 CB :: 32.129 CG :: 26.908 CD :: 43.197 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 :: 8.024 HA :: 4.502 HB2 :: 1.911 HB3 :: 1.628 HG2 :: 1.549 HG3 :: 1.549 HD2 :: 3.144 HD3 :: 3.144 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 :: 120.204 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.K10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.31 M 0.03 G 0.01 HN Overlap>> 1.L46 1.L46 C Shift Assignments>> CA :: 58.748 CB :: 32.359 CG :: 24.908 CD :: 29.130 CE :: 42.100 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 :: 8.945 HA :: 3.957 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 1.413 HG3 :: 1.413 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.958 HE3 :: 2.958 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 :: 126.867 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.N11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 Y 0.1 E 0.09 D 0.07 F 0.06 M 0.05 K 0.01 C Shift Assignments>> C :: 174.874 CA :: 53.324 CB :: 37.235 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 :: 8.211 HA :: 4.504 HB2 :: 2.823 HB3 :: 2.823 HD21 :: 7.504 HD22 :: 6.784 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 :: 114.490 ND2 :: 111.676 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.63 M 0.23 I 0.07 K 0.04 Q 0.01 C Shift Assignments>> C :: 175.407 CA :: 56.661 CB :: 31.185 CG :: 36.861 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 :: 7.733 HA :: 4.148 HB2 :: 1.936 HB3 :: 1.792 HG2 :: 2.195 HG3 :: 2.195 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 :: 120.365 Ave N Shift Values>> N :: 120.68(3.68) 1.E13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.41 E 0.38 Q 0.12 K 0.06 C Shift Assignments>> C :: 177.297 CA :: 54.348 CB :: 31.355 CG :: 35.579 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 :: 8.419 HA :: 4.371 HB2 :: 2.057 HB3 :: 1.784 HG2 :: 2.220 HG3 :: 2.220 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 :: 120.104 Ave N Shift Values>> N :: 120.68(3.68) 1.Y14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.63 Y 0.16 F 0.13 E 0.03 V 0.02 C Shift Assignments>> C :: 177.275 CA :: 62.150 CB :: 37.716 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 :: 8.716 HA :: 4.352 HB2 :: 3.008 HB3 :: 2.817 HD1 :: 6.972 HD2 :: 6.972 HE1 :: 6.611 HE2 :: 6.611 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 :: 120.622 Ave N Shift Values>> N :: 120.79(4.69) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.08 R 0.02 C Shift Assignments>> C :: 173.591 CA :: 45.535 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.439 HA2 :: 4.569 HA3 :: 3.733 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.859 Ave N Shift Values>> N :: 109.91(4.29) 1.L16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 G 0.29 R 0.06 C Shift Assignments>> C :: 175.560 CA :: 53.833 CB :: 44.004 CG :: 26.395 CD1 :: 26.237 CD2 :: 25.095 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 :: 7.130 HA :: 4.575 HB2 :: 1.647 HB3 :: 0.976 HG :: 1.332 HD11 :: 0.604 HD12 :: 0.604 HD13 :: 0.604 HD21 :: 0.622 HD22 :: 0.622 HD23 :: 0.622 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 :: 116.319 Ave N Shift Values>> N :: 121.98(4.07) 1.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.7 G 0.16 K 0.12 C Shift Assignments>> C :: 175.243 CA :: 55.129 CB :: 31.035 CG :: 26.970 CD :: 43.586 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 :: 8.495 HA :: 4.684 HB2 :: 1.777 HB3 :: 1.728 HG2 :: 1.617 HG3 :: 1.350 HD2 :: 3.073 HD3 :: 3.073 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 :: 124.711 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.L18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 G 0.23 A 0.17 R 0.01 C Shift Assignments>> C :: 174.597 CA :: 53.373 CB :: 43.721 CG :: 25.624 CD1 :: 25.284 CD2 :: 22.294 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 :: 8.675 HA :: 4.743 HB2 :: 1.591 HB3 :: 1.165 HG :: 1.528 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 HD21 :: 0.497 HD22 :: 0.497 HD23 :: 0.497 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 :: 125.555 Ave N Shift Values>> N :: 121.98(4.07) 1.A19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.63 K 0.17 M 0.06 A 0.05 R 0.04 H 0.01 C Shift Assignments>> C :: 174.263 CA :: 51.142 CB :: 24.150 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.387 HA :: 4.561 HB1 :: 0.790 HB2 :: 0.790 HB3 :: 0.790 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.868 Ave N Shift Values>> N :: 123.23(3.7) 1.S20 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.73 S 0.26 C Shift Assignments>> C :: 174.760 CA :: 56.898 CB :: 67.757 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.778 HA :: 6.018(S) HB2 :: 4.063 HB3 :: 3.553 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 :: 111.973 Ave N Shift Values>> N :: 116.3(3.95) 1.H21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.34 Q 0.23 K 0.2 H 0.08 R 0.06 E 0.03 N 0.01 C Shift Assignments>> C :: 174.353 CA :: 53.247 CB :: 33.486 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 :: 9.263 HA :: 5.436 HB2 :: 3.125 HB3 :: 3.125 HD2 :: 7.164 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 :: 118.668 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.I22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.57 A 0.41 M 0.01 C Shift Assignments>> C :: 174.444 CA :: 57.495 CB :: 37.835 CG1 :: 27.439 CG2 :: 19.636 CD1 :: 9.606 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 :: 8.394 HA :: 4.957 HB :: 1.922 HG12 :: 1.798 HG13 :: 1.279 HG21 :: 0.832 HG22 :: 0.832 HG23 :: 0.832 HD11 :: 0.629 HD12 :: 0.629 HD13 :: 0.629 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 :: 121.501 Ave N Shift Values>> N :: 121.6(4.72) 1.F23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.34 R 0.27 D 0.13 K 0.08 G 0.06 F 0.04 Y 0.03 N 0.01 C Shift Assignments>> C :: 172.557 CA :: 54.682 CB :: 43.269 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 :: 9.244 HA :: 5.574 HB2 :: 2.831 HB3 :: 2.405 HD1 :: 6.643 HD2 :: 6.643 HE1 :: 6.870 HE2 :: 6.870 HZ :: 7.032 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 :: 123.766 Ave N Shift Values>> N :: 120.69(4.18) 1.V24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.298 CA :: 62.941 CB :: 31.390 CG1 :: 21.107 CG2 :: 23.176 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 :: 8.861 HA :: 3.604 HB :: 2.227 HG11 :: 0.679 HG12 :: 0.679 HG13 :: 0.679 HG21 :: 0.600 HG22 :: 0.600 HG23 :: 0.600 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 :: 119.059 Ave N Shift Values>> N :: 121.02(4.96) 1.K25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.68 R 0.26 M 0.03 G 0.01 C Shift Assignments>> C :: 175.628 CA :: 56.917 CB :: 33.627 CG :: 24.693 CD :: 28.935 CE :: 42.176 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 :: 8.628 HA :: 4.253 HB2 :: 1.422 HB3 :: 1.146 HG2 :: 1.349 HG3 :: 1.316 HD2 :: 1.766 HD3 :: 1.371 HE2 :: 2.950 HE3 :: 2.950 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 :: 132.860 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 E 0.31 Q 0.01 C Shift Assignments>> C :: 173.514 CA :: 55.000 CB :: 34.656 CG :: 36.310 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 :: 7.604 HA :: 4.601 HB2 :: 1.805 HB3 :: 1.805 HG2 :: 2.160 HG3 :: 2.023 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 :: 114.624 Ave N Shift Values>> N :: 120.68(3.68) 1.I27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.512 CA :: 59.657 CB :: 40.033 CG1 :: 28.145 CG2 :: 17.943 CD1 :: 14.720 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 :: 9.048 HA :: 4.760 HB :: 1.560 HG12 :: 1.277 HG13 :: 1.277 HG21 :: 0.610 HG22 :: 0.610 HG23 :: 0.610 HD11 :: 0.560 HD12 :: 0.560 HD13 :: 0.560 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 :: 124.762 Ave N Shift Values>> N :: 121.6(4.72) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.696 CA :: 58.741 CB :: 63.736 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.996 HA :: 4.398 HB2 :: 3.714 HB3 :: 3.835 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 :: 123.904 Ave N Shift Values>> N :: 116.3(3.95) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.34 K 0.33 E 0.15 R 0.09 M 0.05 I 0.02 C Shift Assignments>> C :: 176.077 CA :: 57.926 CB :: 28.732 CG :: 33.773 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 :: 8.951 HA :: 3.964 HB2 :: 2.002 HB3 :: 2.002 HG2 :: 2.396 HG3 :: 2.396 HE21 :: 7.539 HE22 :: 6.815 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 :: 126.234 NE2 :: 111.976 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.24 Y 0.2 F 0.2 N 0.14 L 0.12 K 0.03 I 0.02 C Shift Assignments>> C :: 174.314 CA :: 55.577 CB :: 39.794 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 :: 8.902 HA :: 4.391 HB2 :: 2.891 HB3 :: 2.644 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 :: 118.467 Ave N Shift Values>> N :: 120.73(4.2) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.71 T 0.28 C Shift Assignments>> C :: 174.911 CA :: 57.620 CB :: 66.768 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.227 HA :: 4.581 HB2 :: 3.926 HB3 :: 3.742 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) N Shift Assignments>> N :: 112.070 Ave N Shift Values>> N :: 116.3(3.95) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.27 G 0.06 C Shift Assignments>> C :: 179.900 CA :: 58.175 CB :: 42.711 CG :: 27.026 CD1 :: 23.425 CD2 :: 26.137 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 :: 8.628 HA :: 4.063 HB2 :: 1.950 HB3 :: 1.589 HG :: 1.618 HD11 :: 0.905 HD12 :: 0.905 HD13 :: 0.905 HD21 :: 0.722 HD22 :: 0.722 HD23 :: 0.722 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 :: 119.106 Ave N Shift Values>> N :: 121.98(4.07) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 A 0.39 I 0.02 V 0.01 L 0.01 C Shift Assignments>> C :: 179.897 CA :: 55.251 CB :: 19.127 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.460 HA :: 4.038 HB1 :: 1.327 HB2 :: 1.327 HB3 :: 1.327 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 118.734 Ave N Shift Values>> N :: 123.23(3.7) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.52 A 0.43 I 0.02 V 0.01 C Shift Assignments>> C :: 179.397 CA :: 55.003 CB :: 18.716 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.568 HA :: 4.029 HB1 :: 1.550 HB2 :: 1.550 HB3 :: 1.550 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.947 Ave N Shift Values>> N :: 123.23(3.7) 1.R35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.64 G 0.2 K 0.14 C Shift Assignments>> C :: 177.702 CA :: 58.406 CB :: 30.704 CG :: 28.439 CD :: 43.780 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 :: 7.914 HA :: 4.029 HB2 :: 1.908 HB3 :: 1.795 HG2 :: 1.753 HG3 :: 1.654 HD2 :: 3.169 HD3 :: 3.061 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 :: 116.103 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.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.26 G 0.14 F 0.07 Y 0.04 K 0.04 D 0.03 C Shift Assignments>> C :: 177.215 CA :: 57.287 CB :: 43.879 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 :: 7.707 HA :: 4.380 HB2 :: 2.636 HB3 :: 2.587 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 :: 118.985 Ave N Shift Values>> N :: 120.73(4.2) 1.G37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.91 L 0.06 C Shift Assignments>> C :: 174.723 CA :: 46.217 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.438 HA2 :: 4.025 HA3 :: 3.892 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.958 Ave N Shift Values>> N :: 109.91(4.29) 1.N38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.26 F 0.18 Y 0.17 N 0.14 L 0.14 K 0.04 I 0.02 C Shift Assignments>> C :: 174.279 CA :: 55.364 CB :: 39.998 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 :: 8.568 HA :: 4.652 HB2 :: 2.920 HB3 :: 2.485 HD21 :: 8.193 HD22 :: 6.893 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 :: 117.570 ND2 :: 117.189 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.I39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 173.145 CA :: 60.483 CB :: 39.754 CG1 :: 28.549 CG2 :: 18.112 CD1 :: 15.094 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 :: 8.130 HA :: 4.139 HB :: 1.515 HG12 :: 1.673 HG13 :: 0.842 HG21 :: 0.801 HG22 :: 0.801 HG23 :: 0.801 HD11 :: 0.833 HD12 :: 0.833 HD13 :: 0.833 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 :: 118.794 Ave N Shift Values>> N :: 121.6(4.72) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.61 Q 0.23 E 0.07 K 0.05 C Shift Assignments>> C :: 175.456 CA :: 53.535 CB :: 31.827 CG :: 33.660 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 :: 8.949 HA :: 4.490 HB2 :: 1.984 HB3 :: 1.793 HG2 :: 2.211 HG3 :: 2.145 HE21 :: 7.203 HE22 :: 6.666 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 :: 125.406 NE2 :: 110.902 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.5 E 0.42 K 0.05 M 0.01 C Shift Assignments>> C :: 177.335 CA :: 59.089 CB :: 28.925 CG :: 37.444 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 :: 8.763 HA :: 3.557 HB2 :: 1.933 HB3 :: 1.837 HG2 :: 2.311 HG3 :: 2.000 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 :: 121.099 Ave N Shift Values>> N :: 120.68(3.68) 1.G42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.08 F 0.01 C Shift Assignments>> C :: 174.215 CA :: 44.963 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.597 HA2 :: 4.449 HA3 :: 3.541 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.019 Ave N Shift Values>> N :: 109.91(4.29) 1.D43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.2 L 0.19 K 0.17 F 0.16 Y 0.14 N 0.04 R 0.03 I 0.01 C Shift Assignments>> C :: 175.963 CA :: 56.006 CB :: 40.980 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 :: 7.958 HA :: 4.478 HB2 :: 2.684 HB3 :: 2.259 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 :: 121.555 Ave N Shift Values>> N :: 120.73(4.2) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.779 CA :: 62.668 CB :: 32.739 CG1 :: 22.017 CG2 :: 20.608 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 :: 8.515 HA :: 3.999 HB :: 1.728 HG11 :: 0.390 HG12 :: 0.390 HG13 :: 0.390 HG21 :: 0.632 HG22 :: 0.632 HG23 :: 0.632 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 :: 122.431 Ave N Shift Values>> N :: 121.02(4.96) 1.V45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.942 CA :: 62.070 CB :: 32.022 CG1 :: 22.529 CG2 :: 21.334 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 :: 8.803 HA :: 4.034 HB :: 1.716 HG11 :: 0.714 HG12 :: 0.714 HG13 :: 0.714 HG21 :: 0.670 HG22 :: 0.670 HG23 :: 0.670 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 :: 128.388 Ave N Shift Values>> N :: 121.02(4.96) 1.L46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.7 G 0.24 A 0.03 HN Overlap>> 1.K10 1.K10 C Shift Assignments>> CA :: 56.191 CB :: 43.656 CG :: 25.644 CD1 :: 22.802 CD2 :: 22.802 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 :: 8.975 HA :: 4.332 HB2 :: 1.493 HB3 :: 1.364 HG :: 1.418 HD11 :: 0.710 HD12 :: 0.710 HD13 :: 0.710 HD21 :: 0.710 HD22 :: 0.710 HD23 :: 0.710 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 :: 126.961 Ave N Shift Values>> N :: 121.98(4.07) 1.K47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.93 G 0.04 K 0.01 C Shift Assignments>> C :: 175.114 CA :: 55.828 CB :: 39.008 CG :: 26.175 CD :: 30.363 CE :: 42.453 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 :: 7.477 HA :: 5.166 HB2 :: 1.486 HB3 :: 1.394 HG2 :: 1.205 HG3 :: 1.117 HD2 :: 1.429 HD3 :: 1.406 HE2 :: 2.772 HE3 :: 2.772 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 :: 116.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.I48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 174.728 CA :: 61.179 CB :: 40.667 CG1 :: 28.028 CG2 :: 18.374 CD1 :: 13.618 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 :: 8.353 HA :: 4.221 HB :: 1.425 HG12 :: 1.367 HG13 :: 0.591 HG21 :: 0.619 HG22 :: 0.619 HG23 :: 0.619 HD11 :: 0.692 HD12 :: 0.692 HD13 :: 0.692 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 :: 119.984 Ave N Shift Values>> N :: 121.6(4.72) 1.N49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.37 E 0.19 Y 0.14 M 0.09 F 0.07 D 0.04 K 0.03 I 0.01 C Shift Assignments>> C :: 175.568 CA :: 54.262 CB :: 36.890 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 :: 9.746 HA :: 4.375 HB2 :: 3.097 HB3 :: 2.784 HD21 :: 7.649 HD22 :: 7.194 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 :: 126.964 ND2 :: 112.666 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 R 0.02 C Shift Assignments>> C :: 173.856 CA :: 45.472 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.952 HA2 :: 4.228 HA3 :: 3.512 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 104.200 Ave N Shift Values>> N :: 109.91(4.29) 1.T51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.811 CA :: 62.597 CB :: 69.726 CG2 :: 21.973 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 :: 8.172 HA :: 4.404 HB :: 4.105 HG21 :: 1.190 HG22 :: 1.190 HG23 :: 1.190 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 :: 120.055 Ave N Shift Values>> N :: 115.7(5.05) 1.V52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K2 1.K2 C Shift Assignments>> C :: 177.044 CA :: 63.604 CB :: 32.658 CG1 :: 21.658 CG2 :: 21.309 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 :: 8.627 HA :: 4.335 HB :: 2.248 HG11 :: 0.714 HG12 :: 0.714 HG13 :: 0.714 HG21 :: 1.120 HG22 :: 1.120 HG23 :: 1.120 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 :: 127.178 Ave N Shift Values>> N :: 121.02(4.96) 1.T53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.100 CA :: 61.894 CB :: 68.992 CG2 :: 21.556 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 :: 7.791 HA :: 4.388 HB :: 4.435 HG21 :: 1.026 HG22 :: 1.026 HG23 :: 1.026 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 :: 112.636 Ave N Shift Values>> N :: 115.7(5.05) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 I 0.33 K 0.06 M 0.04 Q 0.01 C Shift Assignments>> C :: 177.197 CA :: 59.051 CB :: 29.789 CG :: 36.881 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 :: 7.536 HA :: 4.585 HB2 :: 2.282 HB3 :: 1.924 HG2 :: 2.449 HG3 :: 2.253 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 :: 126.913 Ave N Shift Values>> N :: 120.68(3.68) 1.N55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.32 N 0.16 Y 0.15 M 0.14 F 0.06 K 0.06 I 0.02 D 0.02 Q 0.02 C Shift Assignments>> C :: 173.908 CA :: 55.229 CB :: 36.456 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 :: 9.046 HA :: 4.756 HB2 :: 3.232 HB3 :: 2.971 HD21 :: 7.221 HD22 :: 6.873 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 :: 121.769 ND2 :: 109.285 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.M56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.71 A 0.25 I 0.03 C Shift Assignments>> C :: 175.969 CA :: 55.805 CB :: 35.666 CG :: 32.319 CE :: 17.210 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 :: 7.967 HA :: 4.403 HB2 :: 2.022 HB3 :: 2.022 HG2 :: 2.931 HG3 :: 2.515 HE1 :: 1.995 HE2 :: 1.995 HE3 :: 1.995 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 :: 122.489 Ave N Shift Values>> N :: 120.1(3.88) 1.S57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.224 CA :: 57.880 CB :: 64.530 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.313 HA :: 4.366 HB2 :: 4.222 HB3 :: 4.036 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 :: 122.370 Ave N Shift Values>> N :: 116.3(3.95) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.09 C Shift Assignments>> C :: 178.631 CA :: 58.204 CB :: 41.651 CG :: 27.235 CD1 :: 24.842 CD2 :: 23.591 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 :: 8.762 HA :: 3.930 HB2 :: 1.775 HB3 :: 1.380 HG :: 1.445 HD11 :: 0.830 HD12 :: 0.830 HD13 :: 0.830 HD21 :: 0.701 HD22 :: 0.701 HD23 :: 0.701 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 :: 123.445 Ave N Shift Values>> N :: 121.98(4.07) 1.T59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.462 CA :: 66.382 CB :: 68.864 CG2 :: 22.359 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 :: 8.043 HA :: 3.806 HB :: 4.024 HG21 :: 1.221 HG22 :: 1.221 HG23 :: 1.221 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 :: 112.034 Ave N Shift Values>> N :: 115.7(5.05) 1.D60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.32 F 0.32 I 0.11 D 0.08 L 0.07 N 0.02 K 0.02 E 0.02 C Shift Assignments>> C :: 178.498 CA :: 57.657 CB :: 39.545 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 :: 7.640 HA :: 4.399 HB2 :: 2.824 HB3 :: 2.632 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 :: 123.485 Ave N Shift Values>> N :: 120.73(4.2) 1.A61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.62 A 0.29 I 0.05 V 0.01 C Shift Assignments>> C :: 178.925 CA :: 55.744 CB :: 18.407 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.155 HA :: 4.028 HB1 :: 1.281 HB2 :: 1.281 HB3 :: 1.281 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.622 Ave N Shift Values>> N :: 123.23(3.7) 1.K62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.33 M 0.02 G 0.01 C Shift Assignments>> C :: 180.036 CA :: 60.412 CB :: 32.163 CG :: 25.735 CD :: 29.831 CE :: 41.755 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 :: 8.374 HA :: 3.814 HB2 :: 1.915 HB3 :: 1.915 HG2 :: 1.658 HG3 :: 1.405 HD2 :: 1.657 HD3 :: 1.657 HE2 :: 2.967 HE3 :: 2.883 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 :: 116.415 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.702 CA :: 66.678 CB :: 68.565 CG2 :: 21.790 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 :: 7.985 HA :: 3.943 HB :: 4.328 HG21 :: 1.225 HG22 :: 1.225 HG23 :: 1.225 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 :: 117.180 Ave N Shift Values>> N :: 115.7(5.05) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.89 R 0.07 G 0.02 C Shift Assignments>> C :: 180.264 CA :: 58.406 CB :: 42.048 CG :: 26.176 CD1 :: 25.602 CD2 :: 23.140 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 :: 7.664 HA :: 3.931 HB2 :: 2.041 HB3 :: 1.352 HG :: 1.812 HD11 :: 0.851 HD12 :: 0.851 HD13 :: 0.851 HD21 :: 0.821 HD22 :: 0.821 HD23 :: 0.821 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 :: 120.932 Ave N Shift Values>> N :: 121.98(4.07) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 179.302 CA :: 65.451 CB :: 37.464 CG1 :: 28.393 CG2 :: 17.257 CD1 :: 13.013 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 :: 7.483 HA :: 3.532 HB :: 2.011 HG12 :: 1.764 HG13 :: 1.028 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 HD11 :: 0.759 HD12 :: 0.759 HD13 :: 0.759 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 :: 117.643 Ave N Shift Values>> N :: 121.6(4.72) 1.E66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 I 0.28 K 0.11 Q 0.04 M 0.04 C Shift Assignments>> C :: 178.606 CA :: 59.383 CB :: 29.547 CG :: 36.205 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 :: 8.235 HA :: 4.149 HB2 :: 2.205 HB3 :: 2.205 HG2 :: 2.460 HG3 :: 2.330 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 :: 121.417 Ave N Shift Values>> N :: 120.68(3.68) 1.R67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.69 G 0.21 K 0.07 L 0.01 C Shift Assignments>> C :: 176.623 CA :: 56.725 CB :: 30.324 CG :: 27.185 CD :: 43.846 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 :: 7.921 HA :: 4.367 HB2 :: 2.111 HB3 :: 1.814 HG2 :: 1.865 HG3 :: 1.738 HD2 :: 3.137 HD3 :: 3.082 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 :: 115.828 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.S68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.518 CA :: 59.743 CB :: 63.219 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.470 HA :: 4.371 HB2 :: 4.165 HB3 :: 4.158 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 :: 115.577 Ave N Shift Values>> N :: 116.3(3.95) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.64 R 0.29 M 0.04 G 0.01 C Shift Assignments>> CA :: 57.998 CB :: 32.595 CG :: 24.857 CD :: 29.185 CE :: 42.004 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 :: 8.597 HA :: 4.178 HB2 :: 1.923 HB3 :: 1.875 HG2 :: 1.504 HG3 :: 1.406 HD2 :: 1.665 HD3 :: 1.665 HE2 :: 2.958 HE3 :: 2.958 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 :: 123.852 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.92 L 0.05 C Shift Assignments>> CA :: 46.523 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.934 HA2 :: 4.125 HA3 :: 3.748 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.629 Ave N Shift Values>> N :: 109.91(4.29) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.59 R 0.33 M 0.04 G 0.01 C Shift Assignments>> C :: 173.783 CA :: 55.941 CB :: 35.116 CG :: 24.920 CD :: 29.704 CE :: 42.020 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 :: 7.625 HA :: 5.143 HB2 :: 1.689 HB3 :: 1.689 HG2 :: 1.299 HG3 :: 1.299 HD2 :: 1.629 HD3 :: 1.629 HE2 :: 2.878 HE3 :: 2.878 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 :: 120.811 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.37 R 0.03 C Shift Assignments>> C :: 174.062 CA :: 53.777 CB :: 45.126 CG :: 27.375 CD1 :: 24.298 CD2 :: 25.575 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 :: 9.015 HA :: 4.668 HB2 :: 1.300 HB3 :: 0.822 HG :: 0.990 HD11 :: 0.210 HD12 :: 0.210 HD13 :: 0.210 HD21 :: 0.616 HD22 :: 0.616 HD23 :: 0.616 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 :: 126.704 Ave N Shift Values>> N :: 121.98(4.07) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 R 0.3 M 0.04 G 0.01 C Shift Assignments>> C :: 176.272 CA :: 55.063 CB :: 33.771 CG :: 25.216 CD :: 29.635 CE :: 41.942 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 :: 8.590 HA :: 5.144 HB2 :: 1.777 HB3 :: 1.677 HG2 :: 1.384 HG3 :: 1.384 HD2 :: 1.609 HD3 :: 1.609 HE2 :: 2.838 HE3 :: 2.838 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 :: 126.314 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.72 M 0.24 I 0.03 C Shift Assignments>> C :: 174.940 CA :: 53.989 CB :: 38.120 CG :: 32.194 CE :: 16.942 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 :: 9.335 HA :: 5.202 HB2 :: 1.820 HB3 :: 1.749 HG2 :: 2.254 HG3 :: 2.123 HE1 :: 1.632 HE2 :: 1.632 HE3 :: 1.632 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 :: 123.427 Ave N Shift Values>> N :: 120.1(3.88) 1.V75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.932 CA :: 62.122 CB :: 33.452 CG1 :: 21.354 CG2 :: 21.354 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 :: 8.001 HA :: 4.804 HB :: 1.729 HG11 :: 0.893 HG12 :: 0.893 HG13 :: 0.893 HG21 :: 0.893 HG22 :: 0.893 HG23 :: 0.893 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 :: 121.927 Ave N Shift Values>> N :: 121.02(4.96) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.88 I 0.06 A 0.05 C Shift Assignments>> C :: 174.892 CA :: 58.910 CB :: 35.120 CG1 :: 21.824 CG2 :: 19.163 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 :: 8.865 HA :: 5.357 HB :: 2.055 HG11 :: 0.791 HG12 :: 0.791 HG13 :: 0.791 HG21 :: 0.759 HG22 :: 0.759 HG23 :: 0.759 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 :: 121.207 Ave N Shift Values>> N :: 121.02(4.96) 1.Q77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.38 Q 0.3 E 0.16 K 0.12 R 0.01 C Shift Assignments>> C :: 174.000 CA :: 56.108 CB :: 31.292 CG :: 33.794 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 :: 8.933 HA :: 4.316 HB2 :: 1.816 HB3 :: 1.710 HG2 :: 2.169 HG3 :: 2.169 HE21 :: 7.456 HE22 :: 6.665 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 :: 122.332 NE2 :: 110.849 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 K 0.41 G 0.04 C Shift Assignments>> C :: 175.086 CA :: 55.667 CB :: 31.900 CD :: 42.809 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 :: 8.259 HA :: 4.365 HB2 :: 1.667 HB3 :: 1.667 HD2 :: 3.125 HD3 :: 3.125 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 :: 124.150 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.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.24 K 0.16 F 0.08 N 0.07 Y 0.07 R 0.06 C Shift Assignments>> CA :: 54.369 CB :: 41.503 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 :: 8.448 HA :: 4.547 HB2 :: 2.646 HB3 :: 2.553 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 :: 123.150 Ave N Shift Values>> N :: 120.73(4.2) 1.E80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.5 M 0.16 K 0.14 Q 0.11 I 0.05 C Shift Assignments>> C :: 176.476 CA :: 56.709 CB :: 30.246 CG :: 35.911 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 :: 8.416 HA :: 4.203 HB2 :: 1.990 HB3 :: 1.844 HG2 :: 2.163 HG3 :: 2.163 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 :: 121.794 Ave N Shift Values>> N :: 120.68(3.68) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.83 R 0.12 G 0.02 A 0.01 C Shift Assignments>> C :: 177.423 CA :: 55.602 CB :: 42.180 CG :: 27.169 CD1 :: 25.016 CD2 :: 23.631 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 :: 8.205 HA :: 4.189 HB2 :: 1.541 HB3 :: 1.406 HG :: 1.511 HD11 :: 0.811 HD12 :: 0.811 HD13 :: 0.811 HD21 :: 0.753 HD22 :: 0.753 HD23 :: 0.753 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 :: 121.920 Ave N Shift Values>> N :: 121.98(4.07) 1.E82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.54 M 0.14 K 0.13 Q 0.08 I 0.08 C Shift Assignments>> C :: 176.297 CA :: 56.929 CB :: 30.180 CG :: 36.170 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 :: 8.173 HA :: 4.092 HB2 :: 1.836 HB3 :: 1.836 HG2 :: 2.130 HG3 :: 2.062 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 :: 120.351 Ave N Shift Values>> N :: 120.68(3.68) 1.H83 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H84 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H85 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H86 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H87 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H88 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable ########################################################################### Overall Results: #Consistent: 86 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 82 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 6 Shift Relative Order (SRO) Results: #Consistent: 88 #Suspicious: 0 C Shift Results: #Consistent: 351 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 602 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 N Shift Results: #Consistent: 88 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K7 HE3 = 2.144(S), Expected = 2.93, Std = 0.2000, ChiSquare = 8.4946e-05 1.S20 HA = 6.018(S), Expected = 4.51, Std = 0.4300, ChiSquare = 4.5323e-04