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.S3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.N8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Consistent H Shift Assignments>> HD21 :: 7.062 HD22 :: 7.564 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>> ND2 :: 113.043 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.P9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.96 S 0.02 C Shift Assignments>> C :: 179.202 CA :: 66.041 CB :: 34.255 CG :: 29.224 CD :: 53.035 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 :: 4.364 HB2 :: 1.794 HB3 :: 2.221 HG2 :: 1.976 HG3 :: 1.769 HD2 :: 3.739 HD3 :: 3.739 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.H10 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.48 W 0.32 H 0.18 C Shift Assignments>> C :: 177.480 CA :: 58.606 CB :: 32.438 CD2 :: 122.149 CE1 :: 140.660(A) 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 :: 8.273 HA :: 4.577 HB2 :: 3.114 HB3 :: 3.030 HD2 :: 6.999 HE1 :: 7.873 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 118.829 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.L11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 G 0.4 L 0.08 C Shift Assignments>> C :: 178.813 CA :: 57.258 CB :: 44.630 CG :: 29.120 CD1 :: 27.203 CD2 :: 25.732 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 :: 7.826 HA :: 4.280 HB2 :: 1.595 HB3 :: 1.595 HG :: 1.425 HD11 :: 0.909 HD12 :: 0.909 HD13 :: 0.909 HD21 :: 0.833 HD22 :: 0.833 HD23 :: 0.833 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 :: 122.156 Ave N Shift Values>> N :: 121.98(4.07) 1.L12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 G 0.4 L 0.06 K 0.01 C Shift Assignments>> C :: 178.860 CA :: 57.090 CB :: 44.602 CG :: 29.318 CD1 :: 27.369 CD2 :: 25.732 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 :: 8.057 HA :: 4.463 HB2 :: 1.653 HB3 :: 1.497 HG :: 1.598 HD11 :: 0.914 HD12 :: 0.914 HD13 :: 0.914 HD21 :: 0.849 HD22 :: 0.849 HD23 :: 0.849 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 :: 122.890 Ave N Shift Values>> N :: 121.98(4.07) 1.V13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.69 C 0.3 C Shift Assignments>> C :: 177.473 CA :: 64.993 CB :: 35.466 CG1 :: 23.270 CG2 :: 23.611 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 :: 8.347 HA :: 4.156 HB :: 2.142 HG11 :: 0.951 HG12 :: 0.951 HG13 :: 0.951 HG21 :: 0.908 HG22 :: 0.908 HG23 :: 0.908 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 122.993 Ave N Shift Values>> N :: 121.02(4.96) 1.K14 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 G 0.31 C Shift Assignments>> C :: 178.058 CA :: 57.322 CB :: 37.556 CG :: 27.944 CD :: 31.461 CE :: 44.205 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 :: 8.303 HA :: 5.220 HB2 :: 1.453 HB3 :: 1.287 HG2 :: 1.082 HG3 :: 1.413 HD2 :: 1.483 HD3 :: 1.483 HE2 :: 2.789 HE3 :: 2.789 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 :: 123.641 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Y15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.7 G 0.27 Y 0.01 C Shift Assignments>> C :: 175.689 CA :: 57.470 CB :: 43.310 CD1 :: 136.097 CD2 :: 136.097 CE1 :: 119.495 CE2 :: 119.495 Ave C Shift Values>> C :: 175.39(1.89) CA :: 58.02(2.64) CB :: 39.16(2.23) CG :: 129.29(1.21) CD1 :: 132.54(1.35) CD2 :: 132.26(1.99) CE1 :: 117.81(2.09) CE2 :: 117.91(2.6) CZ :: 156.37(2.5) H Shift Assignments>> H :: 9.378 HA :: 4.901 HB2 :: 3.005 HB3 :: 2.890 HD1 :: 6.849 HD2 :: 6.849 HE1 :: 6.522 HE2 :: 6.522 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 :: 120.604 Ave N Shift Values>> N :: 120.79(4.69) 1.H16 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 W 0.2 H 0.11 C Shift Assignments>> C :: 176.692 CA :: 58.411 CB :: 33.087 CD2 :: 122.589 CE1 :: 142.246(A) 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 :: 9.003 HA :: 5.018 HB2 :: 2.754 HB3 :: 3.258 HD2 :: 6.686 HE1 :: 7.219 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 :: 120.124 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.S17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.87 T 0.12 C Shift Assignments>> C :: 176.273 CA :: 60.511 CB :: 65.584 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 6.739 HA :: 4.310 HB2 :: 3.524 HB3 :: 4.134 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 117.621 Ave N Shift Values>> N :: 116.3(3.95) 1.G18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.08 C 0.08 C Shift Assignments>> C :: 174.456 CA :: 45.423 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.624 HA2 :: 3.448 HA3 :: 4.618 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.273 Ave N Shift Values>> N :: 109.91(4.29) 1.F19 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Anomalous H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.77 G 0.2 F 0.01 C Shift Assignments>> C :: 176.361 CA :: 58.841 CB :: 43.013 CD1 :: 133.558 CD2 :: 133.558 CE1 :: 133.828(A) CE2 :: 133.828(A) CZ :: 132.280 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 :: 7.995 HA :: 4.964 HB2 :: 2.823 HB3 :: 3.298 HD1 :: 7.410 HD2 :: 7.410 HE1 :: 7.466 HE2 :: 7.466 HZ :: 7.399 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 :: 117.101 Ave N Shift Values>> N :: 120.69(4.18) 1.F20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 F 0.15 Y 0.11 C Shift Assignments>> C :: 177.123 CA :: 60.186 CB :: 41.366 CD1 :: 133.815 CD2 :: 133.815 CE1 :: 132.563 CE2 :: 132.563 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 :: 8.848 HA :: 4.377 HB2 :: 2.042 HB3 :: 2.900 HD1 :: 5.818 HD2 :: 5.818 HE1 :: 6.786 HE2 :: 6.786 Ave H Shift Values>> H :: 8.42(0.74) HA :: 4.62(0.58) HB2 :: 2.99(0.37) HB3 :: 2.97(0.38) HD1 :: 6.91(0.82) HD2 :: 6.89(0.86) HE1 :: 6.95(0.82) HE2 :: 6.94(0.86) HZ :: 6.92(0.8) N Shift Assignments>> N :: 123.995 Ave N Shift Values>> N :: 120.69(4.18) 1.V21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.86 V 0.13 C Shift Assignments>> C :: 176.529 CA :: 63.573 CB :: 37.973 CG1 :: 23.041 CG2 :: 23.778 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 :: 8.386 HA :: 4.165 HB :: 1.799 HG11 :: 0.896 HG12 :: 0.896 HG13 :: 0.896 HG21 :: 0.937 HG22 :: 0.937 HG23 :: 0.937 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 129.925 Ave N Shift Values>> N :: 121.02(4.96) 1.D22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.25 L 0.18 F 0.17 C 0.14 Y 0.13 D 0.08 C Shift Assignments>> C :: 178.519 CA :: 57.380 CB :: 41.707 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 :: 9.038 HA :: 4.145 HB2 :: 2.491 HB3 :: 2.850 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 :: 126.341 Ave N Shift Values>> N :: 120.73(4.2) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.32 C 0.25 P 0.24 A 0.09 N 0.04 D 0.01 L 0.01 C Shift Assignments>> C :: 175.387 CA :: 48.120 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.816 HA2 :: 3.308 HA3 :: 3.899 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 101.751 Ave N Shift Values>> N :: 109.91(4.29) 1.K24 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 G 0.38 C Shift Assignments>> C :: 176.871 CA :: 57.007 CB :: 38.248 CG :: 26.084 CD :: 31.684 CE :: 44.523 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 :: 6.669 HA :: 4.464 HB2 :: 1.185 HB3 :: 1.408 HG2 :: 1.061 HG3 :: 1.013 HD2 :: 1.483 HD3 :: 1.483 HE2 :: 2.918 HE3 :: 2.918 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 :: 115.727 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F25 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Anomalous H Shifts: Anomalous N Shifts: Consistent PRTL>> G 0.85 C 0.14 C Shift Assignments>> C :: 182.009(A) CA :: 62.410 CB :: 44.630 CD1 :: 133.717 CD2 :: 133.717 CE1 :: 134.411(A) CE2 :: 134.411(A) CZ :: 132.366 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 :: 8.212 HA :: 4.746 HB2 :: 2.908 HB3 :: 4.173(A) HD1 :: 7.024 HD2 :: 7.024 HE1 :: 7.385 HE2 :: 7.385 HZ :: 7.175 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 :: 118.937 Ave N Shift Values>> N :: 120.69(4.18) 1.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.49 C 0.47 L 0.01 K 0.01 C Shift Assignments>> C :: 179.744 CA :: 59.428 CB :: 44.759 CG :: 29.397 CD1 :: 28.292 CD2 :: 25.002 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 :: 9.193 HA :: 4.183 HB2 :: 1.669 HB3 :: 1.929 HG :: 1.959 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 HD21 :: 0.891 HD22 :: 0.891 HD23 :: 0.891 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 :: 122.951 Ave N Shift Values>> N :: 121.98(4.07) 1.C27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 K 0.23 Q 0.13 W 0.12 H 0.1 E 0.09 V 0.06 C Shift Assignments>> C :: 179.646 CA :: 57.484 CB :: 32.633 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.603 HA :: 4.360 HB2 :: 3.062 HB3 :: 2.939 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 :: 116.678 Ave N Shift Values>> N :: 119.95(4.79) 1.C28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 E 0.18 K 0.13 Q 0.13 V 0.11 Y 0.04 W 0.03 H 0.01 F 0.01 C Shift Assignments>> C :: 178.312 CA :: 59.158 CB :: 34.665 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.431 HA :: 5.032 HB2 :: 2.736 HB3 :: 3.357 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 :: 114.031 Ave N Shift Values>> N :: 119.95(4.79) 1.Q29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 E 0.29 K 0.08 Q 0.02 C Shift Assignments>> C :: 177.004 CA :: 60.191 CB :: 27.690 CG :: 36.342 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 :: 8.256 HA :: 4.087 HB2 :: 2.458 HB3 :: 2.393 HG2 :: 2.338 HG3 :: 2.254 HE21 :: 7.366 HE22 :: 6.663 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 :: 116.639 NE2 :: 113.333 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q30 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.92 E 0.07 C Shift Assignments>> C :: 179.135 CA :: 60.544 CB :: 33.183 CG :: 38.561(S) 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 :: 7.447 HA :: 4.600 HB2 :: 2.415 HB3 :: 2.225 HG2 :: 2.479 HG3 :: 2.809 HE21 :: 7.202 HE22 :: 8.375 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 117.834 NE2 :: 115.028 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.62 S 0.37 C Shift Assignments>> C :: 175.481 CA :: 60.773 CB :: 66.657 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.745 HA :: 5.114 HB2 :: 3.909 HB3 :: 4.282 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 :: 116.693 Ave N Shift Values>> N :: 116.3(3.95) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 W 0.19 V 0.18 E 0.12 K 0.08 H 0.08 Q 0.05 P 0.04 C Shift Assignments>> C :: 177.768 CA :: 60.097 CB :: 31.290 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.509 HA :: 4.681 HB2 :: 3.094 HB3 :: 2.867 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 120.240 Ave N Shift Values>> N :: 119.95(4.79) 1.K33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 G 0.45 C Shift Assignments>> C :: 178.370 CA :: 61.348 CB :: 34.127 CG :: 27.323 CD :: 31.503 CE :: 44.232 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 :: 8.732 HA :: 3.448 HB2 :: 1.140 HB3 :: 1.337 HG2 :: 0.665 HG3 :: 0.665 HD2 :: 1.260 HD3 :: 1.230 HE2 :: 2.652 HE3 :: 2.652 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 :: 129.550 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> A 0.67 L 0.18 C 0.1 V 0.01 C Shift Assignments>> CA :: 53.480 CB :: 21.030 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.230 HA :: 4.530 HB1 :: 1.402 HB2 :: 1.402 HB3 :: 1.402 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) 1.A35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 C 0.06 L 0.04 HN Overlap>> 1.A43 1.A43 C Shift Assignments>> CA :: 53.417 CB :: 20.011 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.840 HA :: 4.492 HB1 :: 1.583 HB2 :: 1.583 HB3 :: 1.583 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.638 Ave N Shift Values>> N :: 123.23(3.7) 1.P36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.95 S 0.04 C Shift Assignments>> C :: 178.296 CA :: 65.337 CB :: 34.475 CG :: 29.909 CD :: 53.041 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 :: 4.317 HB2 :: 1.894 HB3 :: 2.318 HG2 :: 2.115 HG3 :: 2.063 HD2 :: 3.919 HD3 :: 3.716 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.G37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.66 C 0.23 L 0.03 P 0.02 A 0.02 C Shift Assignments>> C :: 173.013 CA :: 47.427 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.374 HA2 :: 2.547(S) HA3 :: 1.419(S) Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 106.207 Ave N Shift Values>> N :: 109.91(4.29) 1.C38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 E 0.27 K 0.1 Y 0.08 Q 0.07 V 0.06 F 0.02 W 0.02 C Shift Assignments>> C :: 178.040 CA :: 58.742 CB :: 35.337 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.342 HA :: 4.574 HB2 :: 2.612 HB3 :: 3.103 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 :: 118.017 Ave N Shift Values>> N :: 119.95(4.79) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 174.495 CA :: 64.333 CB :: 72.794 CG2 :: 23.170 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 :: 8.610 HA :: 4.384 HB :: 3.183 HG21 :: 1.106 HG22 :: 1.106 HG23 :: 1.106 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 :: 122.374 Ave N Shift Values>> N :: 115.7(5.05) 1.L40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.54 C 0.43 L 0.01 C Shift Assignments>> C :: 179.185 CA :: 57.566 CB :: 45.295 CG :: 29.405 CD1 :: 27.193 CD2 :: 27.061 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 :: 8.689 HA :: 4.577 HB2 :: 1.641 HB3 :: 1.586 HG :: 1.603 HD11 :: 0.953 HD12 :: 0.953 HD13 :: 0.953 HD21 :: 0.884 HD22 :: 0.884 HD23 :: 0.884 Ave H Shift Values>> H :: 8.22(0.65) HA :: 4.32(0.47) HB2 :: 1.63(0.34) HB3 :: 1.57(0.36) HG :: 1.54(0.33) HD1 :: 0.77(0.27) HD2 :: 0.76(0.28) N Shift Assignments>> N :: 127.411 Ave N Shift Values>> N :: 121.98(4.07) 1.W41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.88 H 0.1 W 0.01 C Shift Assignments>> C :: 177.811 CA :: 60.405 CB :: 32.215 CD1 :: 129.045 CE3 :: 122.782 CZ2 :: 116.699 CZ3 :: 124.056 CH2 :: 126.758 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 :: 8.846 HA :: 4.673 HB2 :: 3.018 HB3 :: 3.259 HD1 :: 6.969 HE1 :: 9.973 HE3 :: 7.202 HZ2 :: 7.323 HZ3 :: 6.906 HH2 :: 7.098 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 :: 125.930 NE1 :: 129.644 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.E42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 E 0.09 K 0.01 C Shift Assignments>> C :: 177.273 CA :: 58.287 CB :: 33.321 CG :: 38.620 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 :: 7.990 HA :: 4.156 HB2 :: 1.872 HB3 :: 1.736 HG2 :: 2.091 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 124.833 Ave N Shift Values>> N :: 120.68(3.68) 1.A43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.39 L 0.35 C 0.15 V 0.04 T 0.02 K 0.02 HN Overlap>> 1.A35 1.A35 C Shift Assignments>> C :: 179.452 CA :: 54.611 CB :: 21.395 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.839 HA :: 3.971 HB1 :: 1.218 HB2 :: 1.218 HB3 :: 1.218 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 124.629 Ave N Shift Values>> N :: 123.23(3.7) 1.Y44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 Y 0.08 C Shift Assignments>> C :: 178.118 CA :: 60.507 CB :: 41.089 CD1 :: 135.711 CD2 :: 135.711 CE1 :: 120.595 CE2 :: 120.595 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 :: 8.094 HA :: 4.474 HB2 :: 2.978 HB3 :: 2.947 HD1 :: 7.073 HD2 :: 7.073 HE1 :: 6.792 HE2 :: 6.792 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 :: 120.058 Ave N Shift Values>> N :: 120.79(4.69) 1.S45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.66 T 0.33 C Shift Assignments>> C :: 176.331 CA :: 60.108 CB :: 66.299 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.174 HA :: 4.427 HB2 :: 3.772 HB3 :: 3.727 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 :: 119.563 Ave N Shift Values>> N :: 116.3(3.95) 1.G46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 C 0.16 L 0.04 C Shift Assignments>> C :: 173.669 CA :: 46.892 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.328 HA2 :: 3.996 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.368 Ave N Shift Values>> N :: 109.91(4.29) 1.P47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.91 P 0.06 S 0.01 C Shift Assignments>> CA :: 65.471 CB :: 34.513 CG :: 29.518 CD :: 52.016 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 :: 4.498 HB2 :: 2.308 HB3 :: 1.998 HG2 :: 2.039 HG3 :: 2.039 HD2 :: 3.623 HD3 :: 3.592 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.S48 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S49 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G50 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 42 #Clerical: 0 #Suspicious: 1 #Anomalous: 3 #Mistyped: 4 #Indeterminable: 0 Typing Results: #Consistent: 35 #Suspicious: 0 #Mistyped: 4 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 50 #Suspicious: 0 C Shift Results: #Consistent: 168 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 7 H Shift Results: #Consistent: 261 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 1 N Shift Results: #Consistent: 39 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.H10 CE1 = 140.660(A), Expected = 136.05, Std = 3.5800, ChiSquare = 1.9785e-01 1.K14 Typing: Mistyped 1.H16 CE1 = 142.246(A), Expected = 136.05, Std = 3.5800, ChiSquare = 8.3501e-02 1.F19 CE1 = 133.828(A), Expected = 130.48, Std = 1.2900, ChiSquare = 9.4495e-03 1.F19 CE2 = 133.828(A), Expected = 130.60, Std = 0.9700, ChiSquare = 8.7524e-04 1.K24 Typing: Mistyped 1.F25 Typing: Mistyped 1.F25 C = 182.009(A), Expected = 175.49, Std = 2.1300, ChiSquare = 2.2092e-03 1.F25 CE1 = 134.411(A), Expected = 130.48, Std = 1.2900, ChiSquare = 2.3092e-03 1.F25 CE2 = 134.411(A), Expected = 130.60, Std = 0.9700, ChiSquare = 8.5347e-05 1.F25 HB3 = 4.173(A), Expected = 2.97, Std = 0.3800, ChiSquare = 1.5466e-03 1.Q30 Typing: Mistyped 1.Q30 CG = 38.561(S), Expected = 33.72, Std = 1.1000, ChiSquare = 1.0780e-05 1.G37 HA2 = 2.547(S), Expected = 3.95, Std = 0.4000, ChiSquare = 4.5234e-04 1.G37 HA3 = 1.419(S), Expected = 3.93, Std = 0.4000, ChiSquare = 3.4406e-10