Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.23 C 0.2 K 0.18 Q 0.13 R 0.09 W 0.07 E 0.04 V 0.01 C Shift Assignments>> C :: 176.523 CA :: 54.964 CB :: 32.776 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> HA :: 4.582 HB2 :: 2.179 HB3 :: 2.002 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 :: 123.818 Ave N Shift Values>> N :: 120.1(3.88) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.681 CA :: 60.653 CB :: 63.811 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.709 HA :: 4.410 HB3 :: 3.943 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 :: 118.878 Ave N Shift Values>> N :: 116.3(3.95) 1.A3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.48 M 0.45 C 0.03 L 0.01 V 0.01 C Shift Assignments>> C :: 178.889 CA :: 54.700 CB :: 19.108 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.868 HA :: 3.993 HB1 :: 1.484 HB2 :: 1.484 HB3 :: 1.484 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.102 Ave N Shift Values>> N :: 123.23(3.7) 1.D4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.19 F 0.16 L 0.15 Y 0.14 C 0.14 K 0.11 N 0.05 R 0.01 C Shift Assignments>> C :: 177.474 CA :: 55.998 CB :: 40.617 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 :: 8.036 HA :: 4.591 HB2 :: 2.739 HB3 :: 2.826 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 :: 117.055 Ave N Shift Values>> N :: 120.73(4.2) 1.D5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.21 K 0.2 D 0.16 C 0.1 F 0.1 R 0.08 Y 0.08 N 0.02 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 176.324 CA :: 55.634 CB :: 41.692 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 :: 8.137 HA :: 5.018 HB2 :: 3.238 HB3 :: 3.263 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 :: 120.002 Ave N Shift Values>> N :: 120.73(4.2) 1.F6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.43 F 0.38 C 0.18 C Shift Assignments>> C :: 175.221 CA :: 62.388 CB :: 39.883 CD1 :: 132.368 CD2 :: 132.368 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 :: 7.974 HA :: 4.026 HB2 :: 3.096 HB3 :: 3.243 HD1 :: 7.217 HD2 :: 7.217 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 :: 120.289 Ave N Shift Values>> N :: 120.69(4.18) 1.D7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.19 L 0.08 D 0.07 K 0.07 N 0.01 C Shift Assignments>> C :: 179.367 CA :: 57.923 CB :: 40.206 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 :: 8.614 HA :: 4.033 HB2 :: 2.727 HB3 :: 2.628 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 :: 117.908 Ave N Shift Values>> N :: 120.73(4.2) 1.A8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.56 A 0.4 C 0.02 C Shift Assignments>> C :: 179.900 CA :: 54.942 CB :: 17.986 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.252 HA :: 4.209 HB1 :: 1.813 HB2 :: 1.813 HB3 :: 1.813 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.450 Ave N Shift Values>> N :: 123.23(3.7) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.46 A 0.45 C 0.04 L 0.01 V 0.01 C Shift Assignments>> C :: 178.346 CA :: 54.847 CB :: 19.250 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.714 HA :: 3.114 HB1 :: 1.262 HB2 :: 1.262 HB3 :: 1.262 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.332 Ave N Shift Values>> N :: 123.23(3.7) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.9 C 0.09 C Shift Assignments>> C :: 180.557 CA :: 64.798 CB :: 32.034 CG1 :: 21.160 CG2 :: 22.159 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 :: 8.234 HA :: 3.797 HB :: 1.648 HG11 :: 0.573 HG12 :: 0.573 HG13 :: 0.573 HG21 :: -0.122 HG22 :: -0.122 HG23 :: -0.122 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 :: 119.717 Ave N Shift Values>> N :: 121.02(4.96) 1.K11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.47 M 0.02 C Shift Assignments>> C :: 178.267 CA :: 59.684 CB :: 32.255 CG :: 25.386 CD :: 29.484 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 :: 7.516 HA :: 3.857 HB2 :: 1.865 HB3 :: 1.913 HG2 :: 1.498 HG3 :: 1.423 HD3 :: 1.695 HE3 :: 2.981 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 :: 120.895 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 C 0.46 F 0.06 C Shift Assignments>> C :: 179.025 CA :: 62.723 CB :: 38.410 CD1 :: 134.055 CD2 :: 134.055 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 :: 8.159 HA :: 4.022 HB2 :: 3.171 HB3 :: 3.062 HD1 :: 7.056 HD2 :: 7.056 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 :: 121.095 Ave N Shift Values>> N :: 120.79(4.69) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.74 C 0.25 C Shift Assignments>> C :: 178.361 CA :: 66.676 CB :: 31.527 CG1 :: 25.225 CG2 :: 20.583 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 :: 8.671 HA :: 3.173 HB :: 1.918 HG11 :: 0.426 HG12 :: 0.426 HG13 :: 0.426 HG21 :: 0.242 HG22 :: 0.242 HG23 :: 0.242 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 :: 121.550 Ave N Shift Values>> N :: 121.02(4.96) 1.S14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.984 CA :: 61.032 CB :: 63.365 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.019 HA :: 4.055 HB2 :: 3.855 HB3 :: 3.789 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 :: 112.289 Ave N Shift Values>> N :: 116.3(3.95) 1.N15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.31 N 0.16 L 0.15 C 0.11 F 0.08 K 0.07 Y 0.07 R 0.01 C Shift Assignments>> C :: 175.575 CA :: 53.774 CB :: 40.710 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 :: 7.478 HA :: 4.768 HB2 :: 2.725 HB3 :: 2.691 HD21 :: 7.739 HD22 :: 6.962 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 :: 115.926 ND2 :: 113.848 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.06 C Shift Assignments>> C :: 175.246 CA :: 62.328 CB :: 68.019 CG2 :: 21.253 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 :: 7.579 HA :: 4.278 HB :: 3.560 HG21 :: 1.081 HG22 :: 1.081 HG23 :: 1.081 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 :: 117.498 Ave N Shift Values>> N :: 115.7(5.05) 1.T17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.870 CA :: 62.841 CB :: 68.965 CG2 :: 21.767 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 :: 8.448 HA :: 4.410 HB :: 4.465 HG21 :: 1.226 HG22 :: 1.226 HG23 :: 1.226 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 :: 117.531 Ave N Shift Values>> N :: 115.7(5.05) 1.T18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.668 CA :: 61.375 CB :: 69.319 CG2 :: 21.711 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 :: 7.666 HA :: 4.372 HB :: 4.472 HG21 :: 1.192 HG22 :: 1.192 HG23 :: 1.192 Ave H Shift Values>> H :: 8.27(0.62) HA :: 4.48(0.5) HB :: 4.17(0.37) HG1 :: 4.4(1.92) HG2 :: 1.16(0.28) HG21 :: 1.16(0.28) HG22 :: 1.16(0.28) HG23 :: 1.16(0.28) N Shift Assignments>> N :: 110.060 Ave N Shift Values>> N :: 115.7(5.05) 1.M19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.46 A 0.07 C Shift Assignments>> C :: 175.806 CA :: 56.728 CB :: 34.218 CG :: 31.687 CE :: 17.429 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 :: 7.464 HA :: 4.330 HB3 :: 2.104 HG2 :: 2.567 HG3 :: 2.423 HE1 :: 2.020 HE2 :: 2.020 HE3 :: 2.020 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 :: 122.566 Ave N Shift Values>> N :: 120.1(3.88) 1.M20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 M 0.18 R 0.16 K 0.13 W 0.12 E 0.1 Q 0.09 C Shift Assignments>> C :: 174.651 CA :: 54.780 CB :: 31.384 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 :: 8.846 HA :: 4.586 HB3 :: 2.112 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 :: 126.939 Ave N Shift Values>> N :: 120.1(3.88) 1.A21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.76 M 0.11 C 0.06 L 0.05 C Shift Assignments>> C :: 176.899 CA :: 51.048 CB :: 20.932 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.970 HA :: 4.805 HB1 :: 1.448 HB2 :: 1.448 HB3 :: 1.448 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 125.536 Ave N Shift Values>> N :: 123.23(3.7) 1.S22 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 :: 175.090 CA :: 57.214 CB :: 65.632 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 10.082 HA :: 4.610 HB2 :: 4.104 HB3 :: 4.443 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 :: 121.208 Ave N Shift Values>> N :: 116.3(3.95) 1.N23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Y 0.24 E 0.17 F 0.15 N 0.05 M 0.03 D 0.03 K 0.01 L 0.01 C Shift Assignments>> C :: 178.317 CA :: 57.007 CB :: 37.665 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 :: 9.236 HA :: 4.421 HB3 :: 2.858 HD21 :: 7.779 HD22 :: 7.078 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 :: 120.074 ND2 :: 113.480 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.D24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.2 C 0.16 K 0.13 L 0.12 D 0.09 R 0.02 N 0.01 HN Overlap>> 1.W57 1.W57 C Shift Assignments>> C :: 178.759 CA :: 57.505 CB :: 40.672 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 :: 8.352 HA :: 4.432 HB2 :: 2.526 HB3 :: 2.610 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 :: 120.286 Ave N Shift Values>> N :: 120.73(4.2) 1.D25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.18 K 0.17 C 0.15 L 0.12 D 0.07 R 0.04 C Shift Assignments>> C :: 178.116 CA :: 57.897 CB :: 41.019 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 :: 8.062 HA :: 4.190 HB2 :: 2.337 HB3 :: 3.019 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 :: 122.760 Ave N Shift Values>> N :: 120.73(4.2) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.69 K 0.29 M 0.01 C Shift Assignments>> C :: 180.288 CA :: 60.865 CB :: 32.376 CG :: 26.589 CD :: 29.755 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 :: 8.423 HA :: 4.152 HB3 :: 1.967 HG2 :: 1.477 HG3 :: 1.727 HD2 :: 1.686 HD3 :: 1.751 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 :: 118.211 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.34 R 0.07 HN Overlap>> 1.L79 1.L79 C Shift Assignments>> C :: 178.695 CA :: 57.775 CB :: 41.868 CG :: 27.045 CD1 :: 24.682 CD2 :: 25.108 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 :: 7.896 HA :: 4.250 HB3 :: 1.839 HG :: 1.743 HD11 :: 0.971 HD12 :: 0.971 HD13 :: 0.971 HD21 :: 0.893 HD22 :: 0.893 HD23 :: 0.893 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 :: 122.519 Ave N Shift Values>> N :: 121.98(4.07) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.8 C 0.11 R 0.02 W 0.02 V 0.01 C Shift Assignments>> C :: 175.747 CA :: 63.309 CB :: 26.461 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.744 HA :: 3.835 HB2 :: 3.144 HB3 :: 2.406 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 117.866 Ave N Shift Values>> N :: 119.95(4.79) 1.F29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 C 0.27 Y 0.27 C Shift Assignments>> C :: 177.885 CA :: 62.478 CB :: 38.061 CD1 :: 130.712 CD2 :: 130.712 Ave C Shift Values>> C :: 175.49(2.13) CA :: 58.25(2.73) CB :: 39.95(2.04) CG :: 138.35(1.12) CD1 :: 131.38(1.38) CD2 :: 131.33(1.48) CE1 :: 130.48(1.29) CE2 :: 130.6(0.97) CZ :: 129.11(1.68) H Shift Assignments>> H :: 8.402 HA :: 4.292 HB2 :: 2.869 HB3 :: 3.201 HD1 :: 6.439 HD2 :: 6.439 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 :: 117.889 Ave N Shift Values>> N :: 120.69(4.18) 1.Y30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.5 C 0.29 F 0.19 C Shift Assignments>> C :: 176.751 CA :: 62.117 CB :: 38.121 CD1 :: 133.093 CD2 :: 133.093 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 :: 7.881 HA :: 4.259 HB3 :: 3.256 HD1 :: 7.081 HD2 :: 7.081 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 :: 117.002 Ave N Shift Values>> N :: 120.79(4.69) 1.K31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 K 0.24 R 0.16 G 0.03 L 0.02 C Shift Assignments>> C :: 176.880 CA :: 59.483 CB :: 30.151 CG :: 23.879 CE :: 42.562 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 :: 8.566 HA :: 3.568 HB2 :: 1.592 HB3 :: 1.766 HG2 :: 2.082 HG3 :: 0.517 HE2 :: 2.590 HE3 :: 2.459 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 :: 118.788 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.58 C 0.41 C Shift Assignments>> C :: 177.642 CA :: 59.717 CB :: 37.858 CD1 :: 132.154 CD2 :: 132.154 CE1 :: 117.931 CE2 :: 117.931 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 :: 8.049 HA :: 4.570 HB2 :: 3.125 HB3 :: 3.818 HD1 :: 6.841 HD2 :: 6.841 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 :: 119.691 Ave N Shift Values>> N :: 120.79(4.69) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.73 C 0.26 C Shift Assignments>> C :: 179.569 CA :: 63.094 CB :: 38.709 CD1 :: 132.528 CD2 :: 132.528 CE1 :: 118.557 CE2 :: 118.557 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 :: 8.659 HA :: 3.996 HB2 :: 3.233 HB3 :: 3.547 HD1 :: 6.717 HD2 :: 6.717 HE1 :: 6.728 HE2 :: 6.728 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 :: 119.966 Ave N Shift Values>> N :: 120.79(4.69) 1.K34 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> L 0.49 C 0.34 R 0.13 A 0.02 HN Overlap>> 1.D40 1.D5 1.D40 1.D5 C Shift Assignments>> C :: 178.265 CA :: 56.653 CB :: 27.195 CG :: 22.523 CD :: 26.412 CE :: 41.707 Ave C Shift Values>> C :: 176.46(2.05) CA :: 56.84(2.25) CB :: 32.83(1.88) CG :: 24.91(1.31) CD :: 28.78(1.39) CE :: 41.78(0.98) H Shift Assignments>> H :: 8.154 HA :: 3.188 HB2 :: 0.251(S) HB3 :: -0.535(A) HG2 :: 0.557 HG3 :: -0.064(S) HD2 :: 1.169 HD3 :: 0.811 HE3 :: 2.421 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.952 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.3 R 0.24 K 0.24 Q 0.15 M 0.03 E 0.01 C Shift Assignments>> C :: 176.814 CA :: 57.507 CB :: 27.467 CG :: 32.385 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 :: 8.058 HA :: 4.293 HB2 :: 2.650 HB3 :: 1.825 HG2 :: 1.757 HG3 :: 2.118 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 :: 121.417 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.A36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 M 0.27 A 0.26 C 0.1 K 0.02 V 0.02 T 0.01 C Shift Assignments>> C :: 177.940 CA :: 54.116 CB :: 21.701 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.004 HA :: 3.994 HB1 :: 0.909 HB2 :: 0.909 HB3 :: 0.909 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 115.844 Ave N Shift Values>> N :: 123.23(3.7) 1.T37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 175.321 CA :: 62.223 CB :: 70.540 CG2 :: 21.004 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 :: 7.338 HA :: 4.161 HB :: 3.922 HG21 :: 0.858 HG22 :: 0.858 HG23 :: 0.858 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 :: 104.718 Ave N Shift Values>> N :: 115.7(5.05) 1.V38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 HN Overlap>> 1.K54 1.K54 C Shift Assignments>> C :: 176.653 CA :: 63.747 CB :: 32.957 CG1 :: 21.505 CG2 :: 22.062 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 :: 8.470 HA :: 4.062 HB :: 2.292 HG11 :: 1.118 HG12 :: 1.118 HG13 :: 1.118 HG21 :: 0.998 HG22 :: 0.998 HG23 :: 0.998 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 :: 123.486 Ave N Shift Values>> N :: 121.02(4.96) 1.G39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.37 L 0.28 G 0.08 C 0.08 D 0.05 K 0.04 F 0.04 Y 0.02 C Shift Assignments>> C :: 172.165 CA :: 43.413 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.779 HA2 :: 4.384 HA3 :: 3.971 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.048 Ave N Shift Values>> N :: 109.91(4.29) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.19 K 0.13 C 0.11 N 0.09 F 0.08 Y 0.07 R 0.03 HN Overlap>> 1.K34 1.K34 C Shift Assignments>> C :: 176.510 CA :: 54.422 CB :: 41.175 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 :: 8.246 HA :: 4.453 HB2 :: 2.342 HB3 :: 2.444 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 :: 119.900 Ave N Shift Values>> N :: 120.73(4.2) 1.C41 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.27 C 0.26 R 0.14 L 0.09 V 0.06 W 0.03 P 0.03 Q 0.02 T 0.02 M 0.01 C Shift Assignments>> C :: 175.112 CA :: 60.273 CB :: 25.094 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.532 HA :: 1.875(S) HB2 :: 1.886 HB3 :: 0.508(S) Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 121.374 Ave N Shift Values>> N :: 119.95(4.79) 1.N42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.56 C 0.21 D 0.08 Y 0.05 F 0.03 E 0.02 M 0.01 C Shift Assignments>> C :: 175.029 CA :: 52.067 CB :: 37.681 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 :: 7.293 HA :: 4.835 HB2 :: 3.067 HB3 :: 2.714 HD21 :: 7.575 HD22 :: 6.746 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 :: 128.445 ND2 :: 110.085 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.K43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.45 C 0.36 R 0.11 G 0.03 M 0.02 A 0.01 C Shift Assignments>> C :: 174.848 CA :: 52.951 CB :: 34.267 CG :: 24.373 CD :: 29.157 CE :: 42.368 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 :: 7.290 HB2 :: 1.828 HB3 :: 2.104 HG2 :: 1.894 HG3 :: 1.726 HD3 :: 1.971 HE3 :: 3.250 Ave H Shift Values>> H :: 8.22(0.64) HA :: 4.28(0.45) HB2 :: 1.79(0.25) HB3 :: 1.78(0.26) HG2 :: 1.38(0.27) HG3 :: 1.37(0.29) HD2 :: 1.61(0.25) HD3 :: 1.61(0.25) HE2 :: 2.93(0.2) HE3 :: 2.93(0.2) HZ :: 7.52(0.36) N Shift Assignments>> N :: 119.964 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.P44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 175.233 CA :: 62.252 CB :: 32.172 CG :: 27.246 CD :: 50.701 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 :: 4.464 HB2 :: 2.216 HB3 :: 1.744 HG3 :: 1.978 HD2 :: 3.874 HD3 :: 3.659 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.K45 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> K 0.4 C 0.34 R 0.13 M 0.08 A 0.01 C Shift Assignments>> C :: 175.137 CA :: 54.368 CB :: 32.529 CG :: 23.692 CD :: 29.616 CE :: 41.968 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 :: 8.079 HA :: 2.287(S) HB2 :: 0.647(S) HB3 :: 1.006 HG2 :: 0.234(S) HG3 :: 0.946 HD3 :: 1.350 HE3 :: 2.798 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 :: 123.250 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) SRO Rule Breaks>> (HA > HE3 : 0.9935) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> C :: 175.828 CA :: 62.401 CB :: 32.555 CG :: 27.310 CD :: 51.013 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 :: 4.288 HB2 :: 2.309 HB3 :: 1.723 HG2 :: 1.836 HG3 :: 1.700 HD2 :: 2.779 HD3 :: 3.360 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.G47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.63 L 0.14 C 0.09 R 0.08 F 0.01 D 0.01 C Shift Assignments>> C :: 174.734 CA :: 44.890 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.204 HA2 :: 4.005 HA3 :: 3.805 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.711 Ave N Shift Values>> N :: 109.91(4.29) 1.M48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.18 K 0.18 M 0.17 R 0.13 W 0.12 E 0.09 Q 0.07 V 0.03 C Shift Assignments>> C :: 177.162 CA :: 57.076 CB :: 32.225 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 :: 8.192 HA :: 4.103 HB2 :: 2.047 HB3 :: 2.581 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 :: 117.117 Ave N Shift Values>> N :: 120.1(3.88) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.3 R 0.05 A 0.03 C Shift Assignments>> C :: 178.037 CA :: 55.312 CB :: 41.526 CG :: 27.206 CD1 :: 25.164 CD2 :: 22.776 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 :: 8.248 HA :: 4.350 HB2 :: 1.645 HB3 :: 1.707 HG :: 1.630 HD11 :: 0.923 HD12 :: 0.923 HD13 :: 0.923 HD21 :: 0.866 HD22 :: 0.866 HD23 :: 0.866 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 :: 117.402 Ave N Shift Values>> N :: 121.98(4.07) 1.Q50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.27 K 0.25 E 0.08 R 0.07 M 0.02 HN Overlap>> 1.A74 1.A74 C Shift Assignments>> C :: 176.366 CA :: 54.594 CB :: 28.114 CG :: 34.051 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 :: 7.757 HA :: 4.562 HB2 :: 2.172 HB3 :: 2.091 HG2 :: 2.311 HG3 :: 2.290 HE21 :: 6.889 HE22 :: 7.597 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 :: 121.225 NE2 :: 112.430 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.36 R 0.03 C Shift Assignments>> C :: 178.198 CA :: 58.819 CB :: 41.787 CG :: 26.922 CD1 :: 24.569 CD2 :: 23.701 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 :: 7.757 HA :: 3.706 HB2 :: 1.714 HB3 :: 1.486 HG :: 1.581 HD11 :: 0.945 HD12 :: 0.945 HD13 :: 0.945 HD21 :: 0.904 HD22 :: 0.904 HD23 :: 0.904 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 :: 121.796 Ave N Shift Values>> N :: 121.98(4.07) 1.Q52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 Q 0.23 K 0.22 E 0.11 R 0.07 M 0.01 C Shift Assignments>> C :: 179.173 CA :: 59.034 CB :: 27.837 CG :: 34.110 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 :: 8.563 HA :: 4.119 HB3 :: 2.129 HG3 :: 2.497 HE21 :: 7.652 HE22 :: 7.044 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 :: 115.712 NE2 :: 112.544 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.41 K 0.1 Q 0.02 M 0.02 C Shift Assignments>> C :: 179.564 CA :: 58.462 CB :: 29.109 CG :: 36.547 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 :: 8.049 HA :: 4.157 HB2 :: 2.075 HB3 :: 2.168 HG2 :: 2.174 HG3 :: 2.405 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 :: 117.478 Ave N Shift Values>> N :: 120.68(3.68) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.4 K 0.39 R 0.16 M 0.01 G 0.01 HN Overlap>> 1.V38 1.V38 C Shift Assignments>> C :: 177.957 CA :: 60.793 CB :: 32.091 CG :: 25.145 CD :: 29.731 CE :: 42.039 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 :: 8.457 HA :: 3.915 HB2 :: 1.907 HB3 :: 1.765 HG2 :: 1.367 HG3 :: 1.279 HD2 :: 1.636 HD3 :: 1.489 HE3 :: 2.884 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 :: 123.398 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.42 C Shift Assignments>> C :: 180.036 CA :: 59.946 CB :: 37.288 CD1 :: 132.668 CD2 :: 132.668 CE1 :: 118.235 CE2 :: 118.235 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 :: 8.145 HA :: 4.602 HB2 :: 3.236 HB3 :: 3.123 HD1 :: 7.209 HD2 :: 7.209 HE1 :: 6.860 HE2 :: 6.860 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 :: 117.975 Ave N Shift Values>> N :: 120.79(4.69) 1.K56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 K 0.23 Q 0.15 R 0.08 M 0.07 E 0.04 P 0.03 C Shift Assignments>> C :: 177.184 CA :: 60.475 CB :: 32.699 CD :: 29.595 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 :: 7.633 HA :: 3.900 HB3 :: 1.730 HD2 :: 1.271 HD3 :: 1.061 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 :: 120.315 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.63 C 0.36 HN Overlap>> 1.D24 1.D24 C Shift Assignments>> C :: 178.602 CA :: 63.078 CB :: 30.123 CD1 :: 126.596 CE3 :: 120.106 CZ2 :: 114.573 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.321 HA :: 4.408 HB2 :: 3.512 HB3 :: 3.409 HD1 :: 7.053 HE1 :: 9.657 HE3 :: 7.384 HZ2 :: 7.322 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 120.183 NE1 :: 131.536 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 E 0.42 K 0.03 M 0.02 HN Overlap>> 1.D80 1.D80 C Shift Assignments>> C :: 179.910 CA :: 59.846 CB :: 29.951 CG :: 37.233 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 :: 9.247 HA :: 3.906 HB2 :: 2.326 HB3 :: 2.239 HG2 :: 2.940 HG3 :: 2.711 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 :: 117.367 Ave N Shift Values>> N :: 120.68(3.68) 1.A59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.48 A 0.46 C 0.03 C Shift Assignments>> C :: 179.260 CA :: 54.795 CB :: 18.792 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.928 HA :: 4.202 HB1 :: 1.674 HB2 :: 1.674 HB3 :: 1.674 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.373 Ave N Shift Values>> N :: 123.23(3.7) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.64 W 0.35 C Shift Assignments>> C :: 179.720 CA :: 57.750 CB :: 30.183 CD1 :: 127.686 CZ2 :: 116.020 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.073 HA :: 4.822 HB2 :: 3.586 HB3 :: 3.223 HD1 :: 7.590 HE1 :: 10.163 HZ2 :: 7.246 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 118.108 NE1 :: 131.241 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.N61 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> Y 0.3 F 0.26 C 0.23 D 0.06 E 0.04 L 0.04 N 0.03 C Shift Assignments>> C :: 176.507 CA :: 57.536 CB :: 38.970 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 :: 9.543 HA :: 3.513 HB2 :: 1.921 HB3 :: 1.085(S) HD21 :: 6.789 HD22 :: 7.618 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 :: 120.881 ND2 :: 116.803 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.A62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.6 M 0.36 C 0.02 C Shift Assignments>> C :: 178.226 CA :: 53.861 CB :: 18.682 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.349 HA :: 4.188 HB1 :: 1.549 HB2 :: 1.549 HB3 :: 1.549 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 117.313 Ave N Shift Values>> N :: 123.23(3.7) 1.L63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.3 C 0.25 R 0.24 L 0.18 C Shift Assignments>> C :: 175.265 CA :: 54.054 CB :: 41.612 CD2 :: 27.322 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 :: 7.724 HA :: 4.378 HB2 :: 2.130 HB3 :: 1.835 HD21 :: 0.983 HD22 :: 0.983 HD23 :: 0.983 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 116.196 Ave N Shift Values>> N :: 121.98(4.07) 1.R64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.46 C 0.37 K 0.09 G 0.06 C Shift Assignments>> C :: 177.909 CA :: 59.036 CB :: 30.024 CG :: 27.493 CD :: 43.201 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 :: 6.800 HA :: 4.003 HB2 :: 1.730 HB3 :: 1.602 HG2 :: 1.591 HG3 :: 1.407 HD2 :: 3.261 HD3 :: 3.086 HE :: 7.030 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 :: 119.415 NE :: 113.551 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.G65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.21 R 0.18 C 0.1 F 0.02 D 0.02 Y 0.01 C Shift Assignments>> C :: 175.028 CA :: 44.440 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.905 HA2 :: 3.736 HA3 :: 4.427 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.241 Ave N Shift Values>> N :: 109.91(4.29) 1.M66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 M 0.44 A 0.09 C Shift Assignments>> C :: 176.983 CA :: 56.780 CB :: 34.243 CG :: 32.670 CE :: 18.237 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 :: 8.535 HA :: 4.315 HB2 :: 2.438 HB3 :: 1.990 HG2 :: 2.553 HG3 :: 3.084 HE1 :: 2.187 HE2 :: 2.187 HE3 :: 2.187 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 :: 123.914 Ave N Shift Values>> N :: 120.1(3.88) 1.S67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.719 CA :: 58.014 CB :: 64.904 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 9.238 HA :: 4.508 HB2 :: 4.451 HB3 :: 4.162 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 :: 126.221 Ave N Shift Values>> N :: 116.3(3.95) 1.T68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 176.872 CA :: 66.458 CB :: 68.900 CG2 :: 21.518 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 :: 8.806 HA :: 3.854 HB :: 4.161 HG21 :: 1.321 HG22 :: 1.321 HG23 :: 1.321 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 :: 116.709 Ave N Shift Values>> N :: 115.7(5.05) 1.E69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 E 0.41 K 0.06 Q 0.01 M 0.01 C Shift Assignments>> C :: 178.893 CA :: 60.210 CB :: 29.169 CG :: 36.628 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 :: 8.521 HA :: 3.789 HB2 :: 2.006 HB3 :: 1.950 HG2 :: 2.249 HG3 :: 2.329 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 :: 119.523 Ave N Shift Values>> N :: 120.68(3.68) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.28 T 0.25 P 0.2 S 0.13 C 0.03 F 0.03 Y 0.02 W 0.01 C Shift Assignments>> C :: 177.107 CB :: 62.632 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.079 HA :: 4.018 HB3 :: 3.837 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 116.532 Ave N Shift Values>> N :: 116.3(3.95) 1.A71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.66 A 0.29 C 0.03 C Shift Assignments>> C :: 178.645 CA :: 55.673 CB :: 17.989 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.127 HA :: 4.085 HB1 :: 1.557 HB2 :: 1.557 HB3 :: 1.557 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 127.022 Ave N Shift Values>> N :: 123.23(3.7) 1.K72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.4 R 0.29 K 0.27 M 0.01 G 0.01 C Shift Assignments>> C :: 178.857 CA :: 60.064 CB :: 33.519 CG :: 26.302 CD :: 30.225 CE :: 41.989 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 :: 7.997 HA :: 3.627 HB2 :: 1.860 HB3 :: 1.504 HG2 :: 1.286 HG3 :: -0.820(A) HD2 :: 1.369 HD3 :: 1.281 HE3 :: 2.438 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 :: 117.767 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.21 C 0.18 E 0.16 R 0.13 Q 0.1 K 0.09 V 0.05 M 0.03 C Shift Assignments>> C :: 178.021 CA :: 59.593 CB :: 29.843 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 :: 8.005 HA :: 3.759 HB2 :: 2.167 HB3 :: 2.075 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 :: 117.232 Ave N Shift Values>> N :: 120.68(3.68) 1.A74 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> M 0.84 A 0.13 C 0.01 HN Overlap>> 1.Q50 1.Q50 C Shift Assignments>> C :: 179.737 CA :: 54.978 CB :: 15.455 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.830 HA :: 3.770 HB1 :: 0.460(S) HB2 :: 0.460(S) HB3 :: 0.460(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 121.261 Ave N Shift Values>> N :: 123.23(3.7) 1.Y75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.74 C 0.25 C Shift Assignments>> C :: 176.886 CA :: 62.540 CB :: 39.822 CD1 :: 132.725 CD2 :: 132.725 CE1 :: 118.671 CE2 :: 118.671 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 :: 7.922 HA :: 3.922 HB2 :: 3.839 HB3 :: 3.206 HD1 :: 7.139 HD2 :: 7.139 HE1 :: 6.638 HE2 :: 6.638 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 :: 120.474 Ave N Shift Values>> N :: 120.79(4.69) 1.V76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.96 C 0.03 C Shift Assignments>> C :: 177.026 CA :: 67.360 CB :: 32.329 CG2 :: 22.807 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 :: 8.102 HA :: 3.447 HB :: 2.194 HG21 :: 1.349 HG22 :: 1.349 HG23 :: 1.349 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 :: 117.622 Ave N Shift Values>> N :: 121.02(4.96) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 K 0.47 M 0.02 C Shift Assignments>> C :: 179.777 CA :: 59.450 CB :: 32.197 CG :: 25.591 CD :: 29.342 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 :: 8.763 HA :: 4.156 HB3 :: 1.832 HG2 :: 1.627 HG3 :: 1.474 HD3 :: 1.689 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 :: 118.055 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.62 L 0.32 K 0.04 A 0.01 C Shift Assignments>> C :: 179.123 CA :: 57.685 CB :: 40.507 CD1 :: 22.444 CD2 :: 25.822 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 :: 7.686 HA :: 4.193 HB2 :: 1.256 HB3 :: 1.791 HD11 :: 0.771 HD12 :: 0.771 HD13 :: 0.771 HD21 :: -0.030 HD22 :: -0.030 HD23 :: -0.030 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 :: 120.939 Ave N Shift Values>> N :: 121.98(4.07) 1.L79 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 L 0.44 R 0.03 HN Overlap>> 1.L27 1.L27 C Shift Assignments>> C :: 177.612 CA :: 58.761 CB :: 40.909 CG :: 26.664 CD1 :: 24.110 CD2 :: 26.390 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 :: 7.884 HA :: 4.124 HB2 :: 1.794 HB3 :: 1.048 HG :: 0.609 HD11 :: 0.769 HD12 :: 0.769 HD13 :: 0.769 HD21 :: -0.494(S) HD22 :: -0.494(S) HD23 :: -0.494(S) Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 122.467 Ave N Shift Values>> N :: 121.98(4.07) 1.D80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.23 Y 0.19 K 0.16 C 0.15 L 0.12 D 0.07 R 0.03 HN Overlap>> 1.E58 1.E58 C Shift Assignments>> C :: 178.540 CA :: 57.817 CB :: 40.958 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 :: 9.152 HA :: 4.544 HB2 :: 3.071 HB3 :: 2.721 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 :: 117.387 Ave N Shift Values>> N :: 120.73(4.2) 1.T81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.98 C 0.01 C Shift Assignments>> C :: 175.791 CA :: 65.489 CB :: 69.542 CG2 :: 21.366 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 :: 7.632 HA :: 4.123 HB :: 4.472 HG21 :: 1.326 HG22 :: 1.326 HG23 :: 1.326 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 :: 112.396 Ave N Shift Values>> N :: 115.7(5.05) 1.L82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 L 0.31 G 0.2 R 0.13 A 0.02 C Shift Assignments>> C :: 178.164 CA :: 56.803 CB :: 43.996 CG :: 26.979 CD1 :: 22.378 CD2 :: 25.991 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 :: 8.010 HA :: 4.343 HB2 :: 1.832 HB3 :: 1.658 HG :: 1.883 HD11 :: 0.963 HD12 :: 0.963 HD13 :: 0.963 HD21 :: 0.937 HD22 :: 0.937 HD23 :: 0.937 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 :: 121.831 Ave N Shift Values>> N :: 121.98(4.07) 1.A83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.89 M 0.07 C 0.02 C Shift Assignments>> C :: 172.937 CA :: 49.928 CB :: 18.987 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 9.093 HA :: 4.931 HB1 :: 1.375 HB2 :: 1.375 HB3 :: 1.375 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 122.964 Ave N Shift Values>> N :: 123.23(3.7) 1.P84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.9 C 0.08 C Shift Assignments>> C :: 179.052 CA :: 65.344 CB :: 32.181 CG :: 27.552 CD :: 49.646 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 :: 4.746 HB2 :: 2.009 HB3 :: 2.571 HG2 :: 2.172 HG3 :: 2.093 HD2 :: 3.711 HD3 :: 3.487 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.S85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 176.203 CA :: 57.774 CB :: 63.290 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.313 HA :: 4.545 HB2 :: 4.054 HB3 :: 4.000 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 :: 112.018 Ave N Shift Values>> N :: 116.3(3.95) 1.W86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.8 W 0.19 C Shift Assignments>> C :: 176.700 CA :: 60.247 CB :: 25.410 CD1 :: 128.743 CE3 :: 123.146 CZ2 :: 113.225 Ave C Shift Values>> C :: 176.1(1.89) CA :: 57.71(2.65) CB :: 30.16(2.19) CG :: 110.37(1.55) CD1 :: 126.16(1.76) CD2 :: 127.4(1.33) CE2 :: 137.38(2.86) CE3 :: 120.38(1.5) CZ2 :: 114.19(1.09) CZ3 :: 121.57(1.76) CH2 :: 123.75(1.34) H Shift Assignments>> H :: 8.278 HA :: 3.893 HB2 :: 2.808 HB3 :: 1.792(S) HD1 :: 7.764 HE1 :: 10.586 HE3 :: 7.200 HZ2 :: 7.291 Ave H Shift Values>> H :: 8.35(0.84) HA :: 4.74(0.55) HB2 :: 3.22(0.36) HB3 :: 3.18(0.36) HD1 :: 7.16(0.34) HE1 :: 10.13(0.53) HE3 :: 7.17(1.03) HZ2 :: 7.14(0.89) HZ3 :: 6.68(1.02) HH2 :: 6.82(0.94) N Shift Assignments>> N :: 123.153 NE1 :: 131.084 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.R87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.32 C 0.3 K 0.28 L 0.06 G 0.02 C Shift Assignments>> C :: 176.351 CA :: 56.978 CB :: 29.789 CG :: 25.689 CD :: 42.798 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 :: 6.973 HA :: 3.344 HB2 :: 1.225 HB3 :: 0.810(S) HG2 :: -0.374(S) HG3 :: -0.252(A) HD2 :: 2.470 HD3 :: 2.623 HE :: 7.295 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 :: 119.029 NE :: 115.346 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.N88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.22 C 0.16 Y 0.16 F 0.16 N 0.13 L 0.1 K 0.02 C Shift Assignments>> C :: 179.994 CA :: 55.392 CB :: 39.789 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 :: 7.700 HA :: 4.290 HB2 :: 2.823 HB3 :: 2.722 HD21 :: 6.832 HD22 :: 7.499 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 :: 122.518 ND2 :: 111.413 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) ########################################################################### Overall Results: #Consistent: 79 #Clerical: 0 #Suspicious: 6 #Anomalous: 3 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 88 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 87 #Suspicious: 1 C Shift Results: #Consistent: 367 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 527 #Duplicate: 0 #Unknown: 0 #Suspicious: 17 #Anomalous: 3 N Shift Results: #Consistent: 97 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.K34 HB2 = 0.251(S), Expected = 1.79, Std = 0.2500, ChiSquare = 7.4605e-10 1.K34 HB3 = -0.535(A), Expected = 1.78, Std = 0.2600, ChiSquare = 5.3944e-19 1.K34 HG3 = -0.064(S), Expected = 1.37, Std = 0.2900, ChiSquare = 7.6211e-07 1.C41 HA = 1.875(S), Expected = 4.73, Std = 0.5700, ChiSquare = 5.4778e-07 1.C41 HB3 = 0.508(S), Expected = 2.98, Std = 0.4500, ChiSquare = 3.9442e-08 1.K45 HA = 2.287(S), Expected = 4.28, Std = 0.4500, ChiSquare = 9.4720e-06 1.K45 HB2 = 0.647(S), Expected = 1.79, Std = 0.2500, ChiSquare = 4.8309e-06 1.K45 HG2 = 0.234(S), Expected = 1.38, Std = 0.2700, ChiSquare = 2.1914e-05 1.K45 SRO Rule Break>> HA > HE3 : 0.993548387096774 1.N61 HB3 = 1.085(S), Expected = 2.78, Std = 0.3400, ChiSquare = 6.1868e-07 1.K72 HG3 = -0.820(A), Expected = 1.37, Std = 0.2900, ChiSquare = 4.2953e-14 1.A74 HB1 = 0.460(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3323e-04 1.A74 HB2 = 0.460(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3323e-04 1.A74 HB3 = 0.460(S), Expected = 1.38, Std = 0.2500, ChiSquare = 2.3323e-04 1.L79 HD21 = -0.494(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.5144e-06 1.L79 HD22 = -0.494(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.5144e-06 1.L79 HD23 = -0.494(S), Expected = 0.76, Std = 0.2800, ChiSquare = 7.5144e-06 1.W86 HB3 = 1.792(S), Expected = 3.18, Std = 0.3600, ChiSquare = 1.1547e-04 1.R87 HB3 = 0.810(S), Expected = 1.78, Std = 0.2800, ChiSquare = 5.3164e-04 1.R87 HG2 = -0.374(S), Expected = 1.58, Std = 0.2700, ChiSquare = 4.5859e-13 1.R87 HG3 = -0.252(A), Expected = 1.58, Std = 0.2700, ChiSquare = 1.1594e-11