Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.E3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.6 I 0.14 K 0.11 M 0.1 Q 0.03 C Shift Assignments>> C :: 176.666 CA :: 57.276 CB :: 29.982 CG :: 36.644 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 :: 8.479 HA :: 4.382 HB2 :: 2.085 HB3 :: 1.958 HG2 :: 2.339 HG3 :: 2.226 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) 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 :: 174.343 CA :: 62.584 CB :: 70.029 CG2 :: 22.121 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 :: 8.218 HA :: 4.268 HB :: 4.222 HG21 :: 1.201 HG22 :: 1.201 HG23 :: 1.201 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 :: 114.607 Ave N Shift Values>> N :: 115.7(5.05) 1.H5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 174.859 CA :: 54.879 CB :: 32.161 CD2 :: 119.102 CE1 :: 138.523 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 :: 9.076 HA :: 5.216 HB2 :: 2.978 HB3 :: 2.864 HD2 :: 6.800 HE1 :: 7.965 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 :: 121.152 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.R6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.45 R 0.4 K 0.13 C Shift Assignments>> CA :: 55.193 CB :: 33.775 CG :: 27.405 CD :: 44.111 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 :: 9.083 HA :: 4.712 HB2 :: 1.726 HB3 :: 1.726 HG2 :: 1.547 HG3 :: 1.547 HD2 :: 3.240 HD3 :: 3.065 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 :: 120.983 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.R7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 R 0.47 K 0.04 C Shift Assignments>> CA :: 56.110 CB :: 31.655 CG :: 28.358 CD :: 44.614 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 :: 8.813 HA :: 4.924 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 :: 125.886 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.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.937 CA :: 61.937 CB :: 34.678 CG1 :: 21.150 CG2 :: 21.150 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 :: 9.257 HA :: 4.183 HB :: 1.951 HG11 :: 0.802 HG12 :: 0.802 HG13 :: 0.802 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 :: 126.215 Ave N Shift Values>> N :: 121.02(4.96) 1.R9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.61 G 0.23 K 0.14 C Shift Assignments>> CA :: 55.504 CB :: 31.670 CG :: 27.880 CD :: 43.932 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 :: 8.605 HA :: 4.861 HB2 :: 1.798 HB3 :: 1.686 HG2 :: 1.611 HG3 :: 1.422 HD2 :: 3.206 HD3 :: 3.206 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 :: 127.598 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.L10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.65 R 0.26 G 0.04 K 0.02 C Shift Assignments>> C :: 174.693 CA :: 53.844 CB :: 42.507 CG :: 27.654 CD1 :: 26.653 CD2 :: 25.358 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 :: 8.897 HA :: 4.546 HB2 :: 1.722 HB3 :: 1.445 HG :: 1.506 HD11 :: 0.792 HD12 :: 0.792 HD13 :: 0.792 HD21 :: 0.760 HD22 :: 0.760 HD23 :: 0.760 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 :: 128.544 Ave N Shift Values>> N :: 121.98(4.07) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.74 R 0.18 G 0.06 C Shift Assignments>> C :: 176.205 CA :: 54.699 CB :: 42.838 CG :: 27.814 CD1 :: 25.011 CD2 :: 24.711 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 :: 7.945 HA :: 4.456 HB2 :: 1.511 HB3 :: 1.420 HD11 :: 0.874 HD12 :: 0.874 HD13 :: 0.874 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 122.987 Ave N Shift Values>> N :: 121.98(4.07) 1.K12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.49 R 0.43 M 0.04 G 0.02 C Shift Assignments>> C :: 176.869 CA :: 57.405 CB :: 34.042 CG :: 25.366 CD :: 29.890 CE :: 42.515 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 :: 8.295 HA :: 4.227 HB2 :: 1.931 HB3 :: 1.768 HG2 :: 1.512 HG3 :: 1.404 HD2 :: 1.717 HD3 :: 1.717 HE2 :: 3.006 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 :: 122.727 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.H13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.99 C Shift Assignments>> C :: 175.449 CA :: 56.636 CB :: 29.690 CD2 :: 120.397 CE1 :: 137.488 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 :: 8.613 HA :: 4.579 HB2 :: 3.252 HB3 :: 3.152 HD2 :: 7.160 HE1 :: 8.221 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 :: 119.897 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.G14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.06 R 0.01 C Shift Assignments>> C :: 174.302 CA :: 46.091 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.506 HA2 :: 4.111 HA3 :: 3.821 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.028 Ave N Shift Values>> N :: 109.91(4.29) 1.S15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 174.488 CA :: 58.645 CB :: 64.961 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.199 HA :: 4.502 HB2 :: 3.982 HB3 :: 3.882 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 :: 115.749 Ave N Shift Values>> N :: 116.3(3.95) 1.D16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 L 0.2 N 0.12 K 0.11 F 0.1 Y 0.09 R 0.02 HN Overlap>> 1.V29 1.V29 C Shift Assignments>> C :: 176.177 CA :: 54.389 CB :: 40.896 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 :: 8.596 HA :: 4.652 HB2 :: 2.734 HB3 :: 2.734 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 :: 121.837 Ave N Shift Values>> N :: 120.73(4.2) 1.K17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.55 R 0.37 M 0.03 G 0.03 C Shift Assignments>> C :: 174.059 CA :: 54.595 CB :: 33.458 CG :: 25.366 CD :: 29.566 CE :: 42.515 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 :: 7.828 HA :: 4.614 HB2 :: 1.826 HB3 :: 1.685 HG2 :: 1.531 HG3 :: 1.531 HD2 :: 1.659 HD3 :: 1.659 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 :: 121.391 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.179 CA :: 62.240 CB :: 32.480 CG :: 27.624 CD :: 50.604 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 :: 4.555 HB2 :: 2.344 HB3 :: 1.946 HG2 :: 2.093 HG3 :: 1.931 HD2 :: 3.855 HD3 :: 3.652 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.L19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.88 R 0.07 G 0.02 C Shift Assignments>> C :: 179.397 CA :: 58.533 CB :: 42.199 CG :: 27.300 CD1 :: 24.072 CD2 :: 24.072 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 :: 8.708 HA :: 4.011 HB2 :: 1.720 HB3 :: 1.398 HG :: 1.763 HD11 :: 0.887 HD12 :: 0.887 HD13 :: 0.887 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 120.973 Ave N Shift Values>> N :: 121.98(4.07) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 P 0.06 A 0.04 L 0.03 N 0.01 C Shift Assignments>> C :: 175.733 CA :: 47.569 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.301 HA2 :: 4.041 HA3 :: 3.774 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 100.202 Ave N Shift Values>> N :: 109.91(4.29) 1.F21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.54 Y 0.44 C Shift Assignments>> C :: 170.789 CA :: 56.208 CB :: 41.543 CD1 :: 132.050 CE1 :: 130.496 CZ :: 129.978 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 :: 7.317 HA :: 5.343 HB2 :: 3.100 HB3 :: 2.973 HD1 :: 6.847 HD2 :: 6.847 HE1 :: 6.894 HE2 :: 6.894 HZ :: 7.209 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 :: 116.658 Ave N Shift Values>> N :: 120.69(4.18) 1.Y22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.99 C Shift Assignments>> C :: 175.523 CA :: 56.436 CB :: 41.543 CD1 :: 133.085 CE1 :: 118.066 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 :: 8.300 HA :: 4.806 HB2 :: 3.216 HB3 :: 2.660 HD1 :: 6.989 HD2 :: 6.989 HE1 :: 6.668 HE2 :: 6.668 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 :: 119.117 Ave N Shift Values>> N :: 120.79(4.69) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.76 G 0.21 A 0.02 C Shift Assignments>> C :: 174.581 CA :: 59.671 CB :: 42.681 CG1 :: 25.035 CG2 :: 18.884 CD1 :: 14.676 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 :: 8.627 HA :: 5.662 HB :: 1.836 HG12 :: 1.449 HG13 :: 1.110 HG21 :: 0.882 HG22 :: 0.882 HG23 :: 0.882 HD11 :: 0.826 HD12 :: 0.826 HD13 :: 0.826 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 :: 113.670 Ave N Shift Values>> N :: 121.6(4.72) 1.R24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.41 K 0.33 G 0.24 C Shift Assignments>> C :: 174.546 CA :: 54.389 CB :: 33.879 CG :: 27.642 CD :: 43.486 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 :: 9.398 HA :: 5.014 HB2 :: 2.078 HB3 :: 1.848 HG2 :: 1.689 HG3 :: 1.450 HD2 :: 3.274 HD3 :: 3.120 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 :: 116.528 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.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.21 D 0.18 K 0.11 F 0.05 Y 0.03 G 0.03 N 0.02 C Shift Assignments>> C :: 176.979 CA :: 54.162 CB :: 42.838 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 :: 8.668 HA :: 5.408 HB2 :: 2.834 HB3 :: 2.834 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 :: 120.129 Ave N Shift Values>> N :: 120.73(4.2) 1.G26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.06 R 0.01 C Shift Assignments>> C :: 172.831 CA :: 46.091 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.423 HA2 :: 4.315 HA3 :: 3.943 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.569 Ave N Shift Values>> N :: 109.91(4.29) 1.T27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.771 CA :: 61.665 CB :: 71.971 CG2 :: 22.121 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 :: 8.339 HA :: 4.988 HB :: 3.901 HG21 :: 1.102 HG22 :: 1.102 HG23 :: 1.102 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 :: 115.396 Ave N Shift Values>> N :: 115.7(5.05) 1.S28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 173.658 CA :: 57.459 CB :: 65.174 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.304 HA :: 4.726 HB2 :: 3.870 HB3 :: 3.870 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 :: 120.597 Ave N Shift Values>> N :: 116.3(3.95) 1.V29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.D16 1.D16 C Shift Assignments>> C :: 175.818 CA :: 62.202 CB :: 34.158 CG1 :: 22.121 CG2 :: 21.474 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 :: 8.507 HA :: 4.765 HB :: 1.964 HG11 :: 0.873 HG12 :: 0.873 HG13 :: 0.873 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 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 :: 121.815 Ave N Shift Values>> N :: 121.02(4.96) 1.R30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 G 0.24 K 0.21 C Shift Assignments>> C :: 174.646 CA :: 54.977 CB :: 33.127 CG :: 27.397 CD :: 43.737 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 :: 8.926 HA :: 4.713 HB2 :: 1.801 HB3 :: 1.730 HG2 :: 1.552 HG3 :: 1.552 HD2 :: 3.167 HD3 :: 3.167 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 :: 126.419 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.V31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.K38 1.K38 C Shift Assignments>> C :: 176.463 CA :: 63.370 CB :: 32.484 CG1 :: 21.150 CG2 :: 21.949 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 :: 8.619 HA :: 4.234 HB :: 2.004 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.923 HG22 :: 0.923 HG23 :: 0.923 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 :: 123.882 Ave N Shift Values>> N :: 121.02(4.96) 1.T32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.357 CA :: 60.451 CB :: 72.164 CG2 :: 21.354 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 :: 8.377 HA :: 4.823 HB :: 4.556 HG21 :: 1.141 HG22 :: 1.141 HG23 :: 1.141 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 :: 119.442 Ave N Shift Values>> N :: 115.7(5.05) 1.A33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 C Shift Assignments>> C :: 178.823 CA :: 54.815 CB :: 18.510 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.836 HA :: 4.197 HB1 :: 1.490 HB2 :: 1.490 HB3 :: 1.490 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.523 Ave N Shift Values>> N :: 123.23(3.7) 1.S34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.011 CA :: 58.590 CB :: 64.337 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.105 HA :: 4.556 HB2 :: 3.867 HB3 :: 3.867 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 :: 110.279 Ave N Shift Values>> N :: 116.3(3.95) 1.G35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 172.812 CA :: 45.344 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.627 HA2 :: 4.410 HA3 :: 3.806 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.511 Ave N Shift Values>> N :: 109.91(4.29) 1.L36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.71 R 0.18 G 0.09 C Shift Assignments>> C :: 177.135 CA :: 55.133 CB :: 43.162 CG :: 27.631 CD1 :: 24.719 CD2 :: 25.035 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 :: 8.428 HA :: 4.845 HB2 :: 1.656 HB3 :: 1.400 HG :: 1.610 HD11 :: 0.843 HD12 :: 0.843 HD13 :: 0.843 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 :: 123.108 Ave N Shift Values>> N :: 121.98(4.07) 1.E37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.53 E 0.43 I 0.01 Q 0.01 C Shift Assignments>> C :: 175.302 CA :: 55.449 CB :: 33.474 CG :: 36.688 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 :: 9.083 HA :: 4.639 HB2 :: 2.025 HB3 :: 1.872 HG2 :: 2.225 HG3 :: 2.160 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 :: 124.424 Ave N Shift Values>> N :: 120.68(3.68) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 R 0.43 M 0.03 G 0.01 HN Overlap>> 1.V31 1.V31 C Shift Assignments>> C :: 176.223 CA :: 56.072 CB :: 34.239 CG :: 25.690 CD :: 29.896 CE :: 42.191 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 :: 8.621 HA :: 5.060 HB2 :: 1.739 HB3 :: 1.653 HG2 :: 1.436 HG3 :: 1.313 HD2 :: 1.650 HD3 :: 1.650 HE2 :: 2.925 HE3 :: 2.925 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 :: 123.872 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.54 Q 0.26 K 0.12 E 0.04 R 0.01 C Shift Assignments>> C :: 172.800 CA :: 53.191 CB :: 31.190 CG :: 33.131 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 :: 8.767 HA :: 4.995 HB2 :: 2.159 HB3 :: 1.907 HG2 :: 2.344 HG3 :: 2.344 HE21 :: 7.592 HE22 :: 6.788 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 :: 122.700 NE2 :: 111.786 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.99 C Shift Assignments>> C :: 177.093 CA :: 63.370 CB :: 33.246 CG :: 27.950 CD :: 51.251 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 :: 4.994 HB2 :: 2.516 HB3 :: 2.069 HG2 :: 2.164 HG3 :: 2.080 HD2 :: 3.875 HD3 :: 3.775 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.G41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.09 R 0.03 C Shift Assignments>> C :: 171.290 CA :: 45.344 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.469 HA2 :: 4.391 HA3 :: 3.609 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.711 Ave N Shift Values>> N :: 109.91(4.29) 1.I42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.94 A 0.05 C Shift Assignments>> C :: 174.531 CA :: 58.480 CB :: 38.954 CG1 :: 27.300 CG2 :: 18.355 CD1 :: 10.739 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 :: 8.492 HA :: 4.891 HB :: 1.831 HG12 :: 1.511 HG13 :: 1.267 HG21 :: 0.793 HG22 :: 0.793 HG23 :: 0.793 HD11 :: 0.765 HD12 :: 0.765 HD13 :: 0.765 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 :: 122.116 Ave N Shift Values>> N :: 121.6(4.72) 1.F43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.39 F 0.37 Y 0.22 C Shift Assignments>> C :: 176.048 CA :: 55.854 CB :: 43.932 CD1 :: 132.050 CE1 :: 130.496 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 :: 9.068 HA :: 5.445 HB2 :: 2.778 HB3 :: 2.447 HD1 :: 6.987 HD2 :: 6.987 HE1 :: 7.017 HE2 :: 7.017 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 :: 122.950 Ave N Shift Values>> N :: 120.69(4.18) 1.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.985 CA :: 61.937 CB :: 36.688 CG1 :: 27.934 CG2 :: 17.446 CD1 :: 12.525 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 :: 9.005 HA :: 4.482 HB :: 2.367 HG12 :: 1.542 HG13 :: 1.177 HG21 :: 0.856 HG22 :: 0.856 HG23 :: 0.856 HD11 :: 0.529 HD12 :: 0.529 HD13 :: 0.529 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 :: 120.875 Ave N Shift Values>> N :: 121.6(4.72) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.139 CA :: 58.376 CB :: 64.888 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.653 HA :: 4.794 HB2 :: 3.974 HB3 :: 3.489 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 :: 125.501 Ave N Shift Values>> N :: 116.3(3.95) 1.R46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.4 G 0.31 K 0.28 C Shift Assignments>> C :: 173.729 CA :: 56.822 CB :: 34.105 CG :: 27.750 CD :: 43.809 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 :: 7.269 HA :: 4.449 HB2 :: 1.985 HB3 :: 1.692 HG2 :: 1.615 HG3 :: 1.433 HD2 :: 3.093 HD3 :: 2.979 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 :: 119.702 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.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.36 R 0.18 C Shift Assignments>> C :: 176.105 CA :: 53.648 CB :: 44.457 CG :: 28.278 CD1 :: 26.329 CD2 :: 25.042 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 :: 8.948 HA :: 4.987 HB2 :: 1.781 HB3 :: 1.382 HG :: 1.548 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 HD21 :: 0.774 HD22 :: 0.774 HD23 :: 0.774 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 :: 124.841 Ave N Shift Values>> N :: 121.98(4.07) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.746 CA :: 60.803 CB :: 34.102 CG1 :: 20.171 CG2 :: 21.467 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 :: 7.923 HA :: 4.271 HB :: 1.828 HG11 :: 1.031 HG12 :: 1.031 HG13 :: 1.031 HG21 :: 0.956 HG22 :: 0.956 HG23 :: 0.956 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 :: 123.566 Ave N Shift Values>> N :: 121.02(4.96) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.96 S 0.03 C Shift Assignments>> C :: 178.137 CA :: 64.165 CB :: 31.837 CG :: 28.278 CD :: 52.221 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 :: 4.550 HB2 :: 2.414 HB3 :: 1.957 HG2 :: 2.200 HG3 :: 2.058 HD2 :: 4.183 HD3 :: 3.742 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.G50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.9 L 0.07 R 0.01 C Shift Assignments>> C :: 175.318 CA :: 45.978 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.501 HA2 :: 4.205 HA3 :: 3.784 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.459 Ave N Shift Values>> N :: 109.91(4.29) 1.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.7 L 0.15 R 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 174.453 CA :: 44.906 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.957 HA2 :: 4.315 HA3 :: 3.882 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 105.305 Ave N Shift Values>> N :: 109.91(4.29) 1.L52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.75 R 0.2 G 0.03 C Shift Assignments>> C :: 180.312 CA :: 58.027 CB :: 42.454 CG :: 27.300 CD1 :: 24.711 CD2 :: 25.358 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 :: 8.945 HA :: 4.049 HB2 :: 1.740 HB3 :: 1.672 HG :: 1.575 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 :: 119.907 Ave N Shift Values>> N :: 121.98(4.07) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.58 A 0.3 I 0.03 V 0.03 L 0.02 T 0.01 C Shift Assignments>> C :: 180.248 CA :: 55.786 CB :: 19.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.247 HA :: 3.936 HB1 :: 1.365 HB2 :: 1.365 HB3 :: 1.365 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.748 Ave N Shift Values>> N :: 123.23(3.7) 1.E54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.48 I 0.42 M 0.05 K 0.02 C Shift Assignments>> C :: 178.509 CA :: 60.122 CB :: 30.537 CG :: 37.012 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 :: 9.503 HA :: 3.950 HB2 :: 2.183 HB3 :: 2.095 HG2 :: 2.238 HG3 :: 2.238 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 :: 121.896 Ave N Shift Values>> N :: 120.68(3.68) 1.S55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.891 CA :: 61.551 CB :: 63.663 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.069 HA :: 4.310 HB2 :: 4.063 HB3 :: 4.063 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 :: 114.069 Ave N Shift Values>> N :: 116.3(3.95) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.649 CA :: 63.824 CB :: 71.324 CG2 :: 22.121 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 :: 7.549 HA :: 4.248 HB :: 4.199 HG21 :: 1.453 HG22 :: 1.453 HG23 :: 1.453 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 :: 109.555 Ave N Shift Values>> N :: 115.7(5.05) 1.G57 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>> C :: 174.975 CA :: 46.723 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.544 HA2 :: 4.098 HA3 :: 4.027 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.757 Ave N Shift Values>> N :: 109.91(4.29) 1.L58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.27 A 0.08 C Shift Assignments>> C :: 175.726 CA :: 55.182 CB :: 45.750 CG :: 26.660 CD1 :: 22.445 CD2 :: 22.777 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 :: 7.829 HA :: 4.440 HB2 :: 1.603 HB3 :: 1.431 HG :: 1.021 HD21 :: 0.876 HD22 :: 0.876 HD23 :: 0.876 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 :: 118.308 Ave N Shift Values>> N :: 121.98(4.07) 1.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.34 A 0.01 C Shift Assignments>> C :: 174.703 CA :: 53.243 CB :: 47.046 CG :: 26.653 CD1 :: 24.719 CD2 :: 26.006 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 :: 7.669 HA :: 4.744 HB2 :: 1.281 HB3 :: 1.041 HG :: 1.363 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.434 HD22 :: 0.434 HD23 :: 0.434 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 :: 117.920 Ave N Shift Values>> N :: 121.98(4.07) 1.A60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.42 A 0.39 M 0.12 K 0.04 C Shift Assignments>> C :: 176.249 CA :: 50.607 CB :: 22.769 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.071 HA :: 4.581 HB1 :: 1.363 HB2 :: 1.363 HB3 :: 1.363 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.297 Ave N Shift Values>> N :: 123.23(3.7) 1.V61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 HN Overlap>> 1.M85 1.M85 C Shift Assignments>> C :: 176.663 CA :: 65.497 CB :: 31.834 CG1 :: 23.101 CG2 :: 21.474 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 :: 8.222 HA :: 3.261 HB :: 1.859 HG11 :: 0.969 HG12 :: 0.969 HG13 :: 0.969 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 :: 118.870 Ave N Shift Values>> N :: 121.02(4.96) 1.N62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 Y 0.26 F 0.15 I 0.07 N 0.07 M 0.06 D 0.02 K 0.02 C Shift Assignments>> C :: 175.261 CA :: 56.777 CB :: 37.267 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 :: 9.117 HA :: 4.278 HB2 :: 3.513 HB3 :: 3.003 HD21 :: 7.647 HD22 :: 6.990 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 :: 116.677 ND2 :: 114.611 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.21 F 0.18 L 0.18 Y 0.15 D 0.14 R 0.05 I 0.02 N 0.02 C Shift Assignments>> C :: 175.583 CA :: 56.777 CB :: 41.184 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 :: 8.200 HA :: 4.591 HB2 :: 2.847 HB3 :: 2.209 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 :: 122.820 Ave N Shift Values>> N :: 120.73(4.2) 1.E64 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.45 E 0.39 Q 0.09 K 0.04 C Shift Assignments>> C :: 176.555 CA :: 54.773 CB :: 31.739 CG :: 35.686 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 :: 8.328 HA :: 4.389 HB2 :: 1.890 HB3 :: 1.803 HG2 :: 1.557(S) HG3 :: 1.310(S) 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 :: 122.885 Ave N Shift Values>> N :: 120.68(3.68) 1.V65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 173.956 CA :: 63.483 CB :: 32.161 CG1 :: 21.497 CG2 :: 21.797 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 :: 8.911 HA :: 3.773 HB :: 1.710 HG11 :: 0.671 HG12 :: 0.671 HG13 :: 0.671 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 :: 128.099 Ave N Shift Values>> N :: 121.02(4.96) 1.I66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 178.067 CA :: 60.710 CB :: 38.982 CG1 :: 26.653 CG2 :: 17.787 CD1 :: 10.144 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 :: 8.958 HA :: 4.375 HB :: 1.590 HG12 :: 1.105 HG13 :: 0.745 HG21 :: 0.841 HG22 :: 0.841 HG23 :: 0.841 HD11 :: 0.405 HD12 :: 0.405 HD13 :: 0.405 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 :: 123.191 Ave N Shift Values>> N :: 121.6(4.72) 1.E67 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.74 E 0.23 Q 0.01 C Shift Assignments>> C :: 175.320 CA :: 54.902 CB :: 36.240(S) CG :: 36.040 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 :: 7.709 HA :: 5.219 HB2 :: 1.852 HB3 :: 1.852 HG2 :: 1.943 HG3 :: 1.547(S) 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 :: 117.577 Ave N Shift Values>> N :: 120.68(3.68) SRO Rule Breaks>> (CG > CB : 0.9917) 1.V68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 174.951 CA :: 62.233 CB :: 34.342 CG1 :: 22.106 CG2 :: 21.474 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 :: 8.615 HA :: 4.361 HB :: 1.966 HG11 :: 0.843 HG12 :: 0.843 HG13 :: 0.843 HG21 :: 0.799 HG22 :: 0.799 HG23 :: 0.799 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 :: 120.315 Ave N Shift Values>> N :: 121.02(4.96) 1.N69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.26 Y 0.22 N 0.18 F 0.12 M 0.07 D 0.04 I 0.03 K 0.02 L 0.01 C Shift Assignments>> C :: 174.667 CA :: 55.640 CB :: 37.185 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 :: 9.877 HA :: 4.002 HB2 :: 2.998 HB3 :: 2.470 HD21 :: 7.498 HD22 :: 7.323 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 :: 128.072 ND2 :: 110.757 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.G70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.01 C Shift Assignments>> C :: 173.273 CA :: 45.751 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.246 HA2 :: 4.035 HA3 :: 3.624 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.325 Ave N Shift Values>> N :: 109.91(4.29) 1.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.112 CA :: 59.671 CB :: 37.985 CG1 :: 26.984 CG2 :: 17.589 CD1 :: 11.535 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 :: 7.918 HA :: 4.248 HB :: 2.076 HG12 :: 1.481 HG13 :: 1.205 HG21 :: 0.941 HG22 :: 0.941 HG23 :: 0.941 HD11 :: 0.848 HD12 :: 0.848 HD13 :: 0.848 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 :: 122.468 Ave N Shift Values>> N :: 121.6(4.72) 1.E72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.62 I 0.18 M 0.09 K 0.07 Q 0.01 C Shift Assignments>> C :: 177.214 CA :: 57.572 CB :: 30.219 CG :: 37.012 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 :: 8.892 HA :: 4.491 HB2 :: 2.240 HB3 :: 2.154 HG2 :: 2.524 HG3 :: 2.345 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 :: 126.707 Ave N Shift Values>> N :: 120.68(3.68) 1.V73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 175.578 CA :: 62.126 CB :: 31.514 CG1 :: 22.777 CG2 :: 19.855 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 :: 7.379 HA :: 4.049 HB :: 2.267 HG11 :: 0.753 HG12 :: 0.753 HG13 :: 0.753 HG21 :: 0.689 HG22 :: 0.689 HG23 :: 0.689 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 :: 112.835 Ave N Shift Values>> N :: 121.02(4.96) 1.A74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.59 M 0.38 I 0.01 C Shift Assignments>> C :: 178.547 CA :: 53.821 CB :: 18.237 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.589 HA :: 4.192 HB1 :: 1.369 HB2 :: 1.369 HB3 :: 1.369 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.971 Ave N Shift Values>> N :: 123.23(3.7) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.08 R 0.02 C Shift Assignments>> C :: 174.638 CA :: 45.658 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.853 HA2 :: 4.207 HA3 :: 3.722 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.476 Ave N Shift Values>> N :: 109.91(4.29) 1.K76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.58 K 0.35 G 0.03 M 0.02 C Shift Assignments>> C :: 176.869 CA :: 55.269 CB :: 34.730 CG :: 26.400 CD :: 29.890 CE :: 42.561 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 :: 8.007 HA :: 4.740 HB2 :: 1.962 HB3 :: 1.835 HG2 :: 1.298 HG3 :: 1.298 HD2 :: 1.586 HD3 :: 1.469 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 :: 120.203 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.T77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 175.776 CA :: 60.693 CB :: 71.327 CG2 :: 22.445 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 :: 8.597 HA :: 4.489 HB :: 4.759 HG21 :: 1.342 HG22 :: 1.342 HG23 :: 1.342 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 :: 111.142 Ave N Shift Values>> N :: 115.7(5.05) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.8 R 0.15 G 0.03 C Shift Assignments>> C :: 179.911 CA :: 59.050 CB :: 42.226 CG :: 27.300 CD1 :: 25.035 CD2 :: 24.719 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 :: 9.031 HA :: 3.903 HB2 :: 1.776 HB3 :: 1.776 HG :: 1.709 HD21 :: 0.926 HD22 :: 0.926 HD23 :: 0.926 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 :: 121.363 Ave N Shift Values>> N :: 121.98(4.07) 1.D79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.29 Y 0.25 K 0.13 L 0.11 D 0.08 I 0.07 R 0.02 N 0.01 C Shift Assignments>> C :: 178.399 CA :: 57.824 CB :: 40.573 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 :: 8.433 HA :: 4.373 HB2 :: 2.739 HB3 :: 2.525 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 :: 117.816 Ave N Shift Values>> N :: 120.73(4.2) 1.Q80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 K 0.23 Q 0.2 I 0.12 M 0.04 R 0.01 HN Overlap>> 1.M84 1.M84 C Shift Assignments>> C :: 180.055 CA :: 59.050 CB :: 29.243 CG :: 35.069 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 :: 7.729 HA :: 4.129 HB2 :: 2.541 HB3 :: 1.912 HG2 :: 2.536 HG3 :: 2.509 HE21 :: 7.575 HE22 :: 6.833 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 :: 119.368 NE2 :: 110.637 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.V81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 178.230 CA :: 67.116 CB :: 31.509 CG1 :: 24.072 CG2 :: 22.445 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 :: 8.498 HA :: 3.746 HB :: 2.128 HG11 :: 1.001 HG12 :: 1.001 HG13 :: 1.001 HG21 :: 0.880 HG22 :: 0.880 HG23 :: 0.880 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 :: 121.491 Ave N Shift Values>> N :: 121.02(4.96) 1.T82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 176.620 CA :: 68.134 CB :: 68.404 CG2 :: 21.652 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 :: 8.761 HA :: 3.798 HB :: 4.415 HG21 :: 1.245 HG22 :: 1.245 HG23 :: 1.245 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 :: 118.793 Ave N Shift Values>> N :: 115.7(5.05) 1.D83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 Y 0.26 K 0.12 L 0.1 I 0.09 D 0.07 R 0.01 N 0.01 C Shift Assignments>> C :: 179.311 CA :: 58.052 CB :: 40.528 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 :: 8.016 HA :: 4.413 HB2 :: 2.839 HB3 :: 2.642 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 :: 120.890 Ave N Shift Values>> N :: 120.73(4.2) 1.M84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.81 I 0.18 HN Overlap>> 1.Q80 1.Q80 C Shift Assignments>> C :: 178.934 CA :: 59.671 CB :: 34.422 CG :: 31.428 CE :: 16.935 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 :: 7.836 HA :: 4.130 HB2 :: 2.424 HB3 :: 2.062 HG2 :: 2.860 HG3 :: 2.566 HE1 :: 1.979 HE2 :: 1.979 HE3 :: 1.979 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 :: 119.340 Ave N Shift Values>> N :: 120.1(3.88) 1.M85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.93 I 0.05 HN Overlap>> 1.V61 1.V61 C Shift Assignments>> C :: 178.059 CA :: 59.671 CB :: 32.480 CG :: 33.451 CE :: 17.589 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 :: 8.120 HA :: 3.994 HB2 :: 2.440 HB3 :: 1.914 HG2 :: 2.952 HG3 :: 2.417 HE1 :: 1.885 HE2 :: 1.885 HE3 :: 1.885 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 :: 118.867 Ave N Shift Values>> N :: 120.1(3.88) 1.V86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.99 C Shift Assignments>> C :: 179.897 CA :: 66.145 CB :: 32.156 CG1 :: 22.445 CG2 :: 21.474 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 :: 8.240 HA :: 3.689 HB :: 2.191 HG11 :: 1.073 HG12 :: 1.073 HG13 :: 1.073 HG21 :: 0.950 HG22 :: 0.950 HG23 :: 0.950 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 :: 118.143 Ave N Shift Values>> N :: 121.02(4.96) 1.A87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.45 I 0.02 C Shift Assignments>> C :: 178.810 CA :: 54.815 CB :: 18.510 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.227 HA :: 4.204 HB1 :: 1.476 HB2 :: 1.476 HB3 :: 1.476 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.570 Ave N Shift Values>> N :: 123.23(3.7) 1.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.36 N 0.22 L 0.16 F 0.09 Y 0.08 K 0.06 R 0.01 C Shift Assignments>> C :: 175.689 CA :: 53.626 CB :: 40.572 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 :: 7.352 HA :: 4.927 HB2 :: 3.101 HB3 :: 2.421 HD21 :: 7.676 HD22 :: 7.085 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 :: 114.199 ND2 :: 115.173 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.S89 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 :: 175.290 CA :: 62.239 CB :: 64.110 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.585 HA :: 4.063 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 :: 114.923 Ave N Shift Values>> N :: 116.3(3.95) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.309 CA :: 60.318 CB :: 63.870 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.454 HA :: 4.433 HB2 :: 3.944 HB3 :: 3.944 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 :: 115.442 Ave N Shift Values>> N :: 116.3(3.95) 1.N91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.46 D 0.24 Y 0.11 F 0.09 L 0.05 E 0.01 C Shift Assignments>> C :: 172.960 CA :: 53.572 CB :: 38.955 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 :: 7.880 HA :: 4.789 HB2 :: 2.667 HB3 :: 2.667 HD21 :: 7.478 HD22 :: 6.661 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 :: 120.519 ND2 :: 110.904 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.L92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.66 R 0.24 G 0.08 C Shift Assignments>> C :: 175.338 CA :: 55.786 CB :: 43.162 CG :: 27.948 CD1 :: 25.042 CD2 :: 24.862 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 :: 8.278 HA :: 4.713 HB2 :: 2.013 HB3 :: 1.574 HG :: 1.078 HD11 :: 1.049 HD12 :: 1.049 HD13 :: 1.049 HD21 :: 1.050 HD22 :: 1.050 HD23 :: 1.050 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 :: 126.642 Ave N Shift Values>> N :: 121.98(4.07) 1.I93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.99 C Shift Assignments>> C :: 176.248 CA :: 60.642 CB :: 40.976 CG1 :: 27.954 CG2 :: 17.446 CD1 :: 13.705 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 :: 8.929 HA :: 4.920 HB :: 1.562 HG12 :: 1.546 HG13 :: 0.784 HG21 :: 0.675 HG22 :: 0.675 HG23 :: 0.675 HD11 :: 0.802 HD12 :: 0.802 HD13 :: 0.802 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 :: 126.854 Ave N Shift Values>> N :: 121.6(4.72) 1.I94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.96 A 0.02 C Shift Assignments>> C :: 174.552 CA :: 59.023 CB :: 41.220 CG1 :: 26.966 CG2 :: 18.566 CD1 :: 14.029 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 :: 9.084 HA :: 4.974 HB :: 1.723 HG12 :: 1.524 HG13 :: 1.035 HG21 :: 0.907 HG22 :: 0.907 HG23 :: 0.907 HD11 :: 0.630 HD12 :: 0.630 HD13 :: 0.630 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 :: 126.039 Ave N Shift Values>> N :: 121.6(4.72) 1.T95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 174.804 CA :: 61.210 CB :: 68.734 CG2 :: 22.561 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 :: 8.620 HA :: 5.335 HB :: 3.796 HG21 :: 0.962 HG22 :: 0.962 HG23 :: 0.962 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 :: 122.895 Ave N Shift Values>> N :: 115.7(5.05) 1.V96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.55 A 0.25 I 0.18 C Shift Assignments>> C :: 174.712 CA :: 58.254 CB :: 36.274 CG1 :: 21.499 CG2 :: 18.696 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 :: 9.402 HA :: 5.582 HB :: 1.841 HG11 :: 0.705 HG12 :: 0.705 HG13 :: 0.705 HG21 :: 0.797 HG22 :: 0.797 HG23 :: 0.797 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 :: 120.875 Ave N Shift Values>> N :: 121.02(4.96) 1.K97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.58 R 0.32 M 0.05 G 0.03 C Shift Assignments>> C :: 172.342 CA :: 53.010 CB :: 34.749 CG :: 25.035 CD :: 29.890 CE :: 42.191 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 :: 9.180 HA :: 5.130 HB2 :: 1.927 HB3 :: 1.489 HG2 :: 1.478 HG3 :: 1.346 HD2 :: 1.746 HD3 :: 1.739 HE2 :: 3.009 HE3 :: 3.009 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 :: 123.882 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 S 0.02 C Shift Assignments>> C :: 177.090 CA :: 62.857 CB :: 33.131 CG :: 27.954 CD :: 52.221 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 :: 4.422 HB2 :: 2.373 HB3 :: 1.936 HG2 :: 2.093 HG3 :: 1.774 HD2 :: 4.026 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.A99 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.63 M 0.33 L 0.01 C Shift Assignments>> C :: 178.565 CA :: 53.787 CB :: 19.400 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.541 HA :: 4.290 HB1 :: 1.438 HB2 :: 1.438 HB3 :: 1.438 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.577 Ave N Shift Values>> N :: 123.23(3.7) 1.N100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.48 D 0.24 Y 0.1 F 0.08 L 0.05 E 0.01 C Shift Assignments>> C :: 174.967 CA :: 53.333 CB :: 38.954 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 :: 8.548 HA :: 4.682 HB2 :: 2.828 HB3 :: 2.828 HD21 :: 7.630 HD22 :: 6.915 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 :: 115.977 ND2 :: 112.755 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.Q101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.33 K 0.26 E 0.2 M 0.16 R 0.03 C Shift Assignments>> C :: 174.988 CA :: 56.110 CB :: 29.896 CG :: 34.102 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 :: 8.241 HA :: 4.363 HB2 :: 2.191 HB3 :: 1.963 HG2 :: 2.376 HG3 :: 2.376 HE21 :: 7.664 HE22 :: 6.924 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 :: 120.602 NE2 :: 112.701 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.R102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 K 0.33 Q 0.12 M 0.03 C Shift Assignments>> C :: 180.985 CA :: 58.042 CB :: 31.837 CG :: 27.307 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 :: 8.004 HA :: 4.188 HB2 :: 1.866 HB3 :: 1.756 HG2 :: 1.613 HG3 :: 1.613 HD2 :: 3.220 HD3 :: 3.220 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 :: 127.635 Ave N Shift Values>> N :: 120.61(3.9) NE :: 89.8(12.83) NH1 :: 74.78(11.38) NH2 :: 75.84(11.44) ########################################################################### Overall Results: #Consistent: 100 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 100 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 101 #Suspicious: 1 C Shift Results: #Consistent: 426 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 H Shift Results: #Consistent: 679 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 N Shift Results: #Consistent: 103 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.E64 HG2 = 1.557(S), Expected = 2.31, Std = 0.2100, ChiSquare = 3.3616e-04 1.E64 HG3 = 1.310(S), Expected = 2.31, Std = 0.2100, ChiSquare = 1.9177e-06 1.E67 CB = 36.240(S), Expected = 30.07, Std = 1.8400, ChiSquare = 7.9865e-04 1.E67 HG3 = 1.547(S), Expected = 2.31, Std = 0.2100, ChiSquare = 2.7978e-04 1.E67 SRO Rule Break>> CG > CB : 0.99165623696287