Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.G2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H4 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.S9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.21 C 0.19 K 0.19 Q 0.19 R 0.06 H 0.06 E 0.03 V 0.01 C Shift Assignments>> C :: 176.04 CA :: 55.85 CB :: 33.25 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>> HA :: 4.506 HB2 :: 1.953 HB3 :: 2.094 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) 1.S11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.05 CA :: 59.054 CB :: 63.85 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.462 HA :: 4.516 HB2 :: 3.881 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 :: 117.9 Ave N Shift Values>> N :: 116.3(3.95) 1.T12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 C 0.16 C Shift Assignments>> C :: 174.14 CA :: 61.245 CB :: 71.94 CG2 :: 22.021 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 :: 7.923 HA :: 4.581 HB :: 3.945 HG21 :: 1.002 HG22 :: 1.002 HG23 :: 1.002 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 :: 112.783 Ave N Shift Values>> N :: 115.7(5.05) 1.I13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.54 C 0.43 C Shift Assignments>> C :: 173.93 CA :: 59.72 CB :: 41.597 CG1 :: 26.04 CG2 :: 18.84 CD1 :: 14.07 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 :: 9.201 HA :: 4.532 HB :: 1.595 HG12 :: 0.862 HG13 :: 1.345 HG21 :: 0.871 HG22 :: 0.871 HG23 :: 0.871 HD11 :: 0.622 HD12 :: 0.622 HD13 :: 0.622 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 117.602 Ave N Shift Values>> N :: 121.6(4.72) 1.K14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.36 C 0.33 R 0.23 M 0.04 G 0.02 C Shift Assignments>> C :: 175.36 CA :: 55.20 CB :: 33.13 CG :: 24.95 CD :: 29.806 CE :: 42.59 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 :: 8.077 HA :: 5.11 HB2 :: 1.886 HB3 :: 1.668 HG2 :: 1.44 HG3 :: 1.37 HD2 :: 1.613 HD3 :: 1.613 HE2 :: 2.908 HE3 :: 2.908 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 :: 122.699 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.62 C 0.19 L 0.16 R 0.01 C Shift Assignments>> C :: 176.4 CA :: 53.62 CB :: 45.38 CG :: 26.36 CD1 :: 26.86 CD2 :: 26.15 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 :: 8.953 HA :: 5.025 HB2 :: 1.626 HB3 :: 1.548 HG :: 1.502 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 HD21 :: 0.614 HD22 :: 0.614 HD23 :: 0.614 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 :: 121.650 Ave N Shift Values>> N :: 121.98(4.07) 1.T16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.12 C Shift Assignments>> C :: 173.07 CA :: 61.38 CB :: 71.70 CG2 :: 21.83 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 :: 8.412 HA :: 5.075 HB :: 3.860 HG21 :: 1.055 HG22 :: 1.055 HG23 :: 1.055 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 :: 114.701 Ave N Shift Values>> N :: 115.7(5.05) 1.V17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.61 C 0.38 C Shift Assignments>> C :: 174.57 CA :: 61.005 CB :: 33.6 CG1 :: 21.710 CG2 :: 22.310 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 :: 9.083 HA :: 4.600 HB :: 1.953 HG11 :: 0.818 HG12 :: 0.818 HG13 :: 0.818 HG21 :: 0.737 HG22 :: 0.737 HG23 :: 0.737 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 125.565 Ave N Shift Values>> N :: 121.02(4.96) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.33 R 0.17 M 0.03 G 0.02 C Shift Assignments>> C :: 175.15 CA :: 54.63 CB :: 33.217 CG :: 24.73 CD :: 29.29 CE :: 42.53 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 :: 9.183 HA :: 5.156 HB2 :: 1.883 HB3 :: 2.040 HG2 :: 1.43 HG3 :: 1.43 HD2 :: 1.622 HD3 :: 1.622 HE2 :: 2.939 HE3 :: 2.939 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 :: 129.200 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.F19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.65 C 0.33 C Shift Assignments>> C :: 175.85 CA :: 55.33 CB :: 41.69 CD1 :: 131.4 CD2 :: 131.4 CE1 :: 130.7 CE2 :: 130.7 CZ :: 130.500 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 :: 8.927 HA :: 5.377 HB2 :: 2.857 HB3 :: 2.948 HD1 :: 7.319 HD2 :: 7.319 HE1 :: 7.319 HE2 :: 7.319 HZ :: 7.250 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 :: 126.659 Ave N Shift Values>> N :: 120.69(4.18) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 C 0.19 L 0.03 A 0.01 C Shift Assignments>> C :: 175.09 CA :: 47.07 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.275 HA2 :: 3.580 HA3 :: 3.578 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 119.629 Ave N Shift Values>> N :: 109.91(4.29) 1.G21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.77 L 0.09 C 0.07 R 0.03 C Shift Assignments>> C :: 173.89 CA :: 45.29 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.819 HA2 :: 3.942 HA3 :: 3.942 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 111.500 Ave N Shift Values>> N :: 109.91(4.29) 1.K22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 K 0.31 R 0.28 G 0.02 M 0.01 HN Overlap>> 1.K59 1.K59 C Shift Assignments>> C :: 175.45 CA :: 55.514 CB :: 34.79 CG :: 25.500 CD :: 29.34 CE :: 42.643 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 :: 7.975 HA :: 4.616 HB2 :: 1.975 HB3 :: 1.975 HG2 :: 1.43 HG3 :: 1.506 HD2 :: 1.743 HD3 :: 1.743 HE2 :: 3.03 HE3 :: 3.03 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 :: 121.832 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.91 CA :: 58.344 CB :: 64.237 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.722 HA :: 4.841 HB2 :: 3.645 HB3 :: 3.720 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 :: 119.004 Ave N Shift Values>> N :: 116.3(3.95) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.58 C 0.4 C Shift Assignments>> C :: 173.59 CA :: 59.145 CB :: 40.62 CG1 :: 27.366 CG2 :: 17.75 CD1 :: 14.82 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 :: 9.444 HA :: 4.502 HB :: 2.024 HG12 :: 1.05 HG13 :: 1.61 HG21 :: 0.8297 HG22 :: 0.8297 HG23 :: 0.8297 HD11 :: 0.77 HD12 :: 0.77 HD13 :: 0.77 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 :: 129.205 Ave N Shift Values>> N :: 121.6(4.72) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> C :: 176.75 CA :: 61.74 CB :: 32.01 CG :: 26.85 CD :: 50.85 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 :: 5.179 HB2 :: 2.181 HB3 :: 1.969 HG2 :: 2.272 HG3 :: 2.053 HD2 :: 3.97 HD3 :: 3.88 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.L26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.73 G 0.14 L 0.08 A 0.03 C Shift Assignments>> C :: 175.45 CA :: 54.731 CB :: 47.766 CG :: 27.134 CD1 :: 23.870 CD2 :: 26.75 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 :: 8.720 HA :: 4.731 HB2 :: 1.319 HB3 :: 1.318 HG :: 1.477 HD11 :: 0.7538 HD12 :: 0.7538 HD13 :: 0.7538 HD21 :: 0.641 HD22 :: 0.641 HD23 :: 0.641 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 :: 122.986 Ave N Shift Values>> N :: 121.98(4.07) 1.S27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.498 CA :: 57.00 CB :: 63.85 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.404 HA :: 5.504 HB2 :: 3.641 HB3 :: 3.642 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 :: 118.151 Ave N Shift Values>> N :: 116.3(3.95) 1.V28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.8 V 0.09 I 0.07 A 0.02 HN Overlap>> 1.S83 1.S83 C Shift Assignments>> C :: 174.25 CA :: 58.792 CB :: 36.600 CG1 :: 22.605 CG2 :: 19.36 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 :: 8.743 HA :: 4.792 HB :: 2.192 HG11 :: 0.792 HG12 :: 0.792 HG13 :: 0.792 HG21 :: 0.602 HG22 :: 0.602 HG23 :: 0.602 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 :: 118.097 Ave N Shift Values>> N :: 121.02(4.96) 1.S29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.159 CA :: 55.925 CB :: 64.08 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.694 HA :: 4.960 HB2 :: 4.127 HB3 :: 3.809 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 :: 116.965 Ave N Shift Values>> N :: 116.3(3.95) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.85 C 0.14 C Shift Assignments>> C :: 175.705 CA :: 64.825 CB :: 32.074 CG :: 27.52 CD :: 50.80 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 :: 4.277 HB2 :: 1.914 HB3 :: 2.259 HG2 :: 1.993 HG3 :: 1.993 HD2 :: 3.973 HD3 :: 3.973 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.D31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.27 L 0.23 K 0.15 C 0.11 N 0.07 F 0.07 R 0.06 HN Overlap>> 1.G73 1.G73 C Shift Assignments>> C :: 175.04 CA :: 54.160 CB :: 41.590 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.818 HA :: 4.725 HB2 :: 2.861 HB3 :: 2.433 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 :: 114.503 Ave N Shift Values>> N :: 120.73(4.2) 1.C32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.21 C 0.15 R 0.14 K 0.12 Q 0.1 E 0.09 H 0.08 L 0.03 P 0.01 C Shift Assignments>> C :: 174.805 CA :: 59.51 CB :: 28.010 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.657 HA :: 4.483 HB2 :: 2.955 HB3 :: 3.114 Ave H Shift Values>> H :: 8.42(0.66) HA :: 4.73(0.57) HB2 :: 2.95(0.43) HB3 :: 2.98(0.45) HG :: 1.66(0.48) N Shift Assignments>> N :: 119.852 Ave N Shift Values>> N :: 119.95(4.79) 1.T33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.75 C 0.23 C Shift Assignments>> C :: 176.35 CA :: 61.165 CB :: 71.968 CG2 :: 22.709 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 :: 8.992 HA :: 4.861 HB :: 4.554 HG21 :: 1.279 HG22 :: 1.279 HG23 :: 1.279 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 :: 115.278 Ave N Shift Values>> N :: 115.7(5.05) 1.V34 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 :: 177.88 CA :: 67.05 CB :: 31.303 CG1 :: 24.38 CG2 :: 21.15 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 :: 8.558 HA :: 3.384 HB :: 2.401 HG11 :: 0.812 HG12 :: 0.812 HG13 :: 0.812 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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 :: 123.274 Ave N Shift Values>> N :: 121.02(4.96) 1.K35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 K 0.35 R 0.17 G 0.03 M 0.02 C Shift Assignments>> C :: 178.18 CA :: 60.812 CB :: 32.61 CG :: 24.74 CD :: 29.96 CE :: 42.47 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 :: 8.316 HA :: 3.758 HB2 :: 1.785 HB3 :: 1.785 HG2 :: 1.414 HG3 :: 1.414 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.942 HE3 :: 2.942 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 :: 119.813 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.D36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.3 C 0.21 L 0.13 D 0.12 K 0.1 I 0.07 N 0.02 R 0.01 C Shift Assignments>> C :: 179.395 CA :: 57.360 CB :: 40.350 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.959 HA :: 4.414 HB2 :: 3.047 HB3 :: 2.716 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 :: 120.728 Ave N Shift Values>> N :: 120.73(4.2) 1.L37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.44 C 0.39 R 0.12 K 0.03 C Shift Assignments>> C :: 178.63 CA :: 58.21 CB :: 41.470 CG :: 27.272 CD1 :: 26.78 CD2 :: 24.58 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 :: 8.147 HA :: 3.976 HB2 :: 1.459 HB3 :: 1.951 HG :: 1.48 HD11 :: 0.655 HD12 :: 0.655 HD13 :: 0.655 HD21 :: 0.7497 HD22 :: 0.7497 HD23 :: 0.7497 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 :: 123.841 Ave N Shift Values>> N :: 121.98(4.07) 1.K38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 R 0.37 K 0.11 G 0.05 M 0.02 C Shift Assignments>> C :: 180.78 CA :: 59.91 CB :: 34.27 CG :: 25.85 CD :: 31.00 CE :: 43.03 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 :: 8.308 HA :: 4.505 HB2 :: 1.33 HB3 :: 2.097 HG2 :: 1.357 HG3 :: 1.66 HD2 :: 1.63 HD3 :: 1.736 HE2 :: 2.692 HE3 :: 2.692 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 :: 117.736 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.S39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.24 CA :: 62.44 CB :: 62.67 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.952 HA :: 4.23 HB2 :: 4.10 HB3 :: 4.036 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 115.1 Ave N Shift Values>> N :: 116.3(3.95) 1.Q40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.28 Q 0.2 K 0.2 E 0.18 I 0.05 R 0.03 M 0.02 C Shift Assignments>> C :: 178.33 CA :: 59.045 CB :: 28.893 CG :: 34.44 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 :: 7.899 HA :: 4.125 HB2 :: 2.198 HB3 :: 2.198 HG2 :: 2.542 HG3 :: 2.310 HE21 :: 6.45 HE22 :: 7.204 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 :: 121.6 NE2 :: 109.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.L41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.33 L 0.32 R 0.26 G 0.03 K 0.02 C Shift Assignments>> C :: 179.98 CA :: 56.472 CB :: 42.66 CG :: 27.43 CD1 :: 23.637 CD2 :: 27.16 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 :: 4.13 HB2 :: 2.243 HB3 :: 1.047 HG :: 1.68 HD11 :: 0.733 HD12 :: 0.733 HD13 :: 0.733 HD21 :: 0.7886 HD22 :: 0.7886 HD23 :: 0.7886 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 :: 116.657 Ave N Shift Values>> N :: 121.98(4.07) 1.Q42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 K 0.19 P 0.14 V 0.11 R 0.06 I 0.03 Q 0.02 M 0.01 C Shift Assignments>> C :: 174.35 CA :: 61.3 CB :: 25.25 CG :: 33.14 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 :: 7.903 HA :: 4.18 HB2 :: 2.423 HB3 :: 1.896 HG2 :: 2.205 HG3 :: 2.378 HE21 :: 7.499 HE22 :: 6.873 Ave H Shift Values>> H :: 8.22(0.62) HA :: 4.28(0.44) HB2 :: 2.05(0.28) HB3 :: 2.04(0.29) HG2 :: 2.32(0.29) HG3 :: 2.32(0.29) HE21 :: 7.17(0.46) HE22 :: 7.07(0.49) N Shift Assignments>> N :: 125.104 NE2 :: 110.3 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.P43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.11 C Shift Assignments>> C :: 177.27 CA :: 65.13 CB :: 31.208 CG :: 28.180 CD :: 50.18 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 :: 4.410 HB2 :: 1.879 HB3 :: 2.296 HG2 :: 2.2052 HG3 :: 1.994 HD2 :: 3.652 HD3 :: 3.913 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.I44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.87 C 0.12 C Shift Assignments>> C :: 177.06 CA :: 63.67 CB :: 40.27 CG1 :: 28.36 CG2 :: 17.59 CD1 :: 14.03 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 :: 6.568 HA :: 3.959 HB :: 1.734 HG12 :: 1.153 HG13 :: 1.699 HG21 :: 0.96 HG22 :: 0.96 HG23 :: 0.96 HD11 :: 0.9201 HD12 :: 0.9201 HD13 :: 0.9201 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 :: 114.765 Ave N Shift Values>> N :: 121.6(4.72) 1.T45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.99 CA :: 62.696 CB :: 71.682 CG2 :: 22.193 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 :: 7.826 HA :: 4.202 HB :: 3.617 HG21 :: 0.99 HG22 :: 0.99 HG23 :: 0.99 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 :: 107.323 Ave N Shift Values>> N :: 115.7(5.05) 1.N46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.3 C 0.26 F 0.13 D 0.13 E 0.07 L 0.03 I 0.02 M 0.02 C Shift Assignments>> C :: 173.90 CA :: 54.89 CB :: 38.207 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 :: 8.660 HA :: 4.381 HB2 :: 2.906 HB3 :: 3.164 HD21 :: 7.567 HD22 :: 6.843 Ave H Shift Values>> H :: 8.37(0.65) HA :: 4.7(0.39) HB2 :: 2.8(0.34) HB3 :: 2.78(0.34) HD21 :: 7.27(0.52) HD22 :: 7.2(0.52) N Shift Assignments>> N :: 117.586 ND2 :: 112.6 Ave N Shift Values>> N :: 119.13(4.42) ND2 :: 112.83(2.6) 1.V47 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 :: 176.14 CA :: 61.763 CB :: 32.925 CG1 :: 21.73 CG2 :: 21.90 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 :: 7.517 HA :: 4.134 HB :: 1.609 HG11 :: 0.711 HG12 :: 0.711 HG13 :: 0.711 HG21 :: 0.922 HG22 :: 0.922 HG23 :: 0.922 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 :: 119.901 Ave N Shift Values>> N :: 121.02(4.96) 1.L48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.31 R 0.04 A 0.04 C Shift Assignments>> C :: 177.11 CA :: 54.491 CB :: 41.171 CG :: 27.38 CD1 :: 23.1 CD2 :: 25.38 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 :: 8.650 HA :: 4.194 HB2 :: 1.612 HB3 :: 1.612 HG :: 1.798 HD11 :: 0.901 HD12 :: 0.901 HD13 :: 0.901 HD21 :: 0.9375 HD22 :: 0.9375 HD23 :: 0.9375 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 :: 128.467 Ave N Shift Values>> N :: 121.98(4.07) 1.P49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.69 C 0.3 C Shift Assignments>> C :: 178.43 CA :: 67.00 CB :: 32.456 CG :: 27.83 CD :: 50.15 Ave C Shift Values>> C :: 176.7(1.69) CA :: 63.3(1.64) CB :: 31.81(1.54) CG :: 27.14(1.18) CD :: 50.28(1.04) H Shift Assignments>> HA :: 3.923 HB2 :: 2.035 HB3 :: 2.210 HG2 :: 2.217 HG3 :: 1.594 HD2 :: 3.776 HD3 :: 3.693 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.R50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.33 K 0.12 G 0.08 L 0.07 C Shift Assignments>> C :: 176.94 CA :: 58.13 CB :: 29.20 CG :: 26.59 CD :: 43.476 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 :: 8.331 HA :: 4.239 HB2 :: 1.891 HB3 :: 1.777 HG2 :: 1.55 HG3 :: 1.62 HD2 :: 3.186 HD3 :: 3.186 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 :: 114.5 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.G51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 L 0.17 R 0.11 C 0.09 F 0.01 D 0.01 C Shift Assignments>> C :: 173.34 CA :: 44.75 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.199 HA2 :: 3.605 HA3 :: 4.335 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 107.942 Ave N Shift Values>> N :: 109.91(4.29) 1.Q52 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> M 0.31 C 0.29 Q 0.2 K 0.08 E 0.07 R 0.01 C Shift Assignments>> C :: 175.77 CA :: 56.023 CB :: 31.494 CG :: 33.32 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 :: 7.475 HA :: 4.315 HB2 :: 1.820 HB3 :: 1.870 HG2 :: 1.568 HG3 :: 2.363 HE21 :: 6.197 HE22 :: 6.615 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 :: 119.769 NE2 :: 101.3(S) Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.K53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.31 R 0.26 M 0.03 G 0.01 HN Overlap>> 1.V60 1.V60 C Shift Assignments>> C :: 174.08 CA :: 55.95 CB :: 34.69 CG :: 25.16 CD :: 29.97 CE :: 42.472 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 :: 8.586 HA :: 4.50 HB2 :: 1.717 HB3 :: 1.717 HG2 :: 1.258 HG3 :: 1.258 HD2 :: 1.745 HD3 :: 1.745 HE2 :: 3.06 HE3 :: 3.06 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 :: 123.759 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.L54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.2 L 0.16 R 0.04 C Shift Assignments>> C :: 174.94 CA :: 53.25 CB :: 45.042 CG :: 27.28 CD1 :: 24.91 CD2 :: 27.4 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 :: 8.90 HA :: 5.271 HB2 :: 1.178 HB3 :: 1.657 HG :: 1.483 HD11 :: 0.766 HD12 :: 0.766 HD13 :: 0.766 HD21 :: 0.766 HD22 :: 0.766 HD23 :: 0.766 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 :: 126.2 Ave N Shift Values>> N :: 121.98(4.07) 1.I55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.38 C Shift Assignments>> C :: 175.623 CA :: 59.402 CB :: 40.27 CG1 :: 28.30 CG2 :: 17.75 CD1 :: 13.57 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 :: 9.33 HA :: 4.886 HB :: 1.775 HG12 :: 1.076 HG13 :: 1.427 HG21 :: 0.758 HG22 :: 0.758 HG23 :: 0.758 HD11 :: 0.763 HD12 :: 0.763 HD13 :: 0.763 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 123.589 Ave N Shift Values>> N :: 121.6(4.72) 1.F56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.52 C 0.39 G 0.07 C Shift Assignments>> C :: 174.6 CA :: 55.936 CB :: 42.83 CD1 :: 132.0 CD2 :: 132.0 CE1 :: 132.0 CE2 :: 132.0 CZ :: 130.400 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 :: 9.241 HA :: 5.212 HB2 :: 2.889 HB3 :: 2.964 HD1 :: 7.395 HD2 :: 7.395 HE1 :: 7.511 HE2 :: 7.511 HZ :: 7.470 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 :: 127.423 Ave N Shift Values>> N :: 120.69(4.18) 1.K57 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.24 M 0.02 C Shift Assignments>> C :: 176.62 CA :: 57.495 CB :: 30.10 CG :: 24.533 CD :: 29.65 CE :: 42.06 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 :: 9.307 HA :: 3.630 HB2 :: 1.292 HB3 :: 1.641 HG2 :: 0.721 HG3 :: 0.142(S) HD2 :: 1.31 HD3 :: 1.382 HE2 :: 2.773 HE3 :: 2.843 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 :: 128.612 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.G58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.08 C 0.08 R 0.02 C Shift Assignments>> C :: 173.568 CA :: 45.475 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.288 HA2 :: 3.487 HA3 :: 4.098 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 102.757 Ave N Shift Values>> N :: 109.91(4.29) 1.K59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.33 R 0.23 M 0.03 G 0.02 HN Overlap>> 1.K22 1.K22 C Shift Assignments>> C :: 174.83 CA :: 55.222 CB :: 35.01 CG :: 24.800 CD :: 29.67 CE :: 42.57 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 :: 7.90 HA :: 4.667 HB2 :: 1.879 HB3 :: 1.879 HG2 :: 1.414 HG3 :: 1.475 HD2 :: 1.746 HD3 :: 1.746 HE2 :: 3.062 HE3 :: 3.062 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 :: 121.753 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.V60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.79 C 0.2 HN Overlap>> 1.K53 1.K53 C Shift Assignments>> C :: 177.38 CA :: 63.080 CB :: 32.101 CG1 :: 22.10 CG2 :: 22.446 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 :: 8.587 HA :: 4.209 HB :: 1.979 HG11 :: 0.993 HG12 :: 0.993 HG13 :: 0.993 HG21 :: 0.993 HG22 :: 0.993 HG23 :: 0.993 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 :: 123.795 Ave N Shift Values>> N :: 121.02(4.96) 1.L61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 C 0.24 R 0.14 G 0.06 A 0.03 C Shift Assignments>> C :: 176.66 CA :: 54.76 CB :: 43.06 CG :: 26.923 CD1 :: 26.55 CD2 :: 23.14 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 :: 8.876 HA :: 4.430 HB2 :: 1.355 HB3 :: 1.696 HG :: 1.762 HD11 :: 0.687 HD12 :: 0.687 HD13 :: 0.687 HD21 :: 0.99 HD22 :: 0.99 HD23 :: 0.99 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 :: 129.083 Ave N Shift Values>> N :: 121.98(4.07) 1.V62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.8 C 0.19 C Shift Assignments>> C :: 178.39 CA :: 63.077 CB :: 32.44 CG1 :: 21.61 CG2 :: 21.61 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 :: 8.759 HA :: 3.989 HB :: 2.091 HG11 :: 1.074 HG12 :: 1.074 HG13 :: 1.074 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 Ave H Shift Values>> H :: 8.29(0.71) HA :: 4.16(0.57) HB :: 1.99(0.33) HG1 :: 0.84(0.27) HG2 :: 0.83(0.29) N Shift Assignments>> N :: 124.193 Ave N Shift Values>> N :: 121.02(4.96) 1.E63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.37 C 0.37 E 0.22 M 0.01 C Shift Assignments>> C :: 176.5 CA :: 60.509 CB :: 30.58 CG :: 37.65 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 :: 8.806 HA :: 3.757 HB2 :: 2.134 HB3 :: 2.018 HG2 :: 2.152 HG3 :: 2.429 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.296 Ave N Shift Values>> N :: 120.68(3.68) 1.T64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.89 C 0.1 C Shift Assignments>> C :: 175.29 CA :: 61.466 CB :: 68.84 CG2 :: 22.24 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 :: 7.100 HA :: 4.279 HB :: 4.545 HG21 :: 1.285 HG22 :: 1.285 HG23 :: 1.285 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 :: 102.822 Ave N Shift Values>> N :: 115.7(5.05) 1.S65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.30 CA :: 58.06 CB :: 64.95 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.749 HA :: 4.676 HB2 :: 3.865 HB3 :: 3.865 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 :: 117.966 Ave N Shift Values>> N :: 116.3(3.95) 1.T66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.78 C 0.21 C Shift Assignments>> C :: 177.3 CA :: 60.20 CB :: 71.55 CG2 :: 22.17 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 :: 8.512 HA :: 5.032 HB :: 4.508 HG1 :: 6.08 HG21 :: 1.227 HG22 :: 1.227 HG23 :: 1.227 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 :: 111.490 Ave N Shift Values>> N :: 115.7(5.05) 1.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.94 L 0.04 C Shift Assignments>> C :: 179.17 CA :: 59.234 CB :: 38.897 CG :: 26.68 CD1 :: 21.49 CD2 :: 26.88 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 :: 8.451 HA :: 3.753 HB2 :: 1.346 HB3 :: 1.949 HG :: 1.758 HD11 :: 0.492 HD12 :: 0.492 HD13 :: 0.492 HD21 :: 0.737 HD22 :: 0.737 HD23 :: 0.737 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 :: 122.302 Ave N Shift Values>> N :: 121.98(4.07) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.42 C 0.38 R 0.15 M 0.02 C Shift Assignments>> C :: 180.95 CA :: 59.62 CB :: 32.49 CG :: 24.494 CD :: 29.29 CE :: 41.99 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 :: 8.313 HA :: 4.090 HB2 :: 1.72 HB3 :: 1.77 HG2 :: 1.392 HG3 :: 1.392 HD2 :: 1.669 HD3 :: 1.669 HE2 :: 2.93 HE3 :: 2.93 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 :: 120.066 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.Q69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 Q 0.23 K 0.22 E 0.16 R 0.04 I 0.03 M 0.02 C Shift Assignments>> C :: 177.84 CA :: 58.26 CB :: 28.58 CG :: 34.38 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 :: 8.019 HA :: 4.086 HB2 :: 2.098 HB3 :: 2.317 HG2 :: 2.464 HG3 :: 2.546 HE21 :: 6.902 HE22 :: 7.544 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 :: 119.594 NE2 :: 111.1 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 171.87 CA :: 58.92 CB :: 64.446 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.544 HA :: 4.517 HB2 :: 4.064 HB3 :: 3.834 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 :: 114.028 Ave N Shift Values>> N :: 116.3(3.95) 1.D71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 C 0.21 F 0.21 N 0.15 L 0.1 I 0.03 K 0.02 E 0.01 C Shift Assignments>> C :: 174.05 CA :: 55.66 CB :: 39.54 Ave C Shift Values>> C :: 176.41(1.77) CA :: 54.52(2.1) CB :: 40.7(1.67) CG :: 178.41(1.84) H Shift Assignments>> H :: 7.882 HA :: 4.278 HB2 :: 2.808 HB3 :: 3.191 Ave H Shift Values>> H :: 8.33(0.57) HA :: 4.61(0.31) HB2 :: 2.74(0.29) HB3 :: 2.7(0.29) N Shift Assignments>> N :: 116.055 Ave N Shift Values>> N :: 120.73(4.2) 1.V72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 173.98 CA :: 62.744 CB :: 30.727 CG1 :: 22.29 CG2 :: 20.36 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 :: 7.723 HA :: 3.285 HB :: 1.615 HG11 :: 0.328 HG12 :: 0.328 HG13 :: 0.328 HG21 :: -0.097 HG22 :: -0.097 HG23 :: -0.097 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 :: 119.423 Ave N Shift Values>> N :: 121.02(4.96) 1.G73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.31 R 0.3 K 0.11 D 0.07 C 0.07 F 0.06 G 0.02 I 0.01 HN Overlap>> 1.D31 1.D31 C Shift Assignments>> C :: 172.45 CA :: 42.82 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.722 HA2 :: 3.59 HA3 :: 4.416 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 114.445 Ave N Shift Values>> N :: 109.91(4.29) 1.S74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.24 CA :: 60.42 CB :: 63.35 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.552 HA :: 4.365 HB2 :: 3.984 HB3 :: 3.89 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 111.883 Ave N Shift Values>> N :: 116.3(3.95) 1.G75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.13 C 0.09 R 0.07 F 0.01 C Shift Assignments>> C :: 174.5 CA :: 44.99 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 9.718 HA2 :: 3.693 HA3 :: 4.328 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 115.986 Ave N Shift Values>> N :: 109.91(4.29) 1.A76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.43 M 0.25 L 0.2 C 0.09 V 0.01 C Shift Assignments>> C :: 176.17 CA :: 53.372 CB :: 21.4 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.939 HA :: 4.363 HB1 :: 1.512 HB2 :: 1.512 HB3 :: 1.512 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 123.830 Ave N Shift Values>> N :: 123.23(3.7) 1.K77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.34 R 0.18 M 0.02 G 0.01 C Shift Assignments>> C :: 175.45 CA :: 54.93 CB :: 33.52 CG :: 25.02 CD :: 29.05 CE :: 42.23 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 :: 8.435 HA :: 5.195 HB2 :: 1.804 HB3 :: 1.864 HG2 :: 1.353 HG3 :: 1.566 HD2 :: 1.697 HD3 :: 1.697 HE2 :: 3.04 HE3 :: 3.04 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 :: 120.636 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>> G 0.58 C 0.26 R 0.09 L 0.05 C Shift Assignments>> C :: 175.97 CA :: 53.7 CB :: 45.25 CG :: 29.47 CD1 :: 26.05 CD2 :: 26.05 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 :: 9.016 HA :: 5.225 HB2 :: 1.688 HB3 :: 1.516 HG :: 1.47 HD11 :: 0.707 HD12 :: 0.707 HD13 :: 0.707 HD21 :: 0.707 HD22 :: 0.707 HD23 :: 0.707 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 :: 123.751 Ave N Shift Values>> N :: 121.98(4.07) 1.M79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 M 0.32 E 0.2 Q 0.08 K 0.01 C Shift Assignments>> C :: 173.97 CA :: 55.508 CB :: 35.18 CG :: 32.2 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 :: 8.983 HA :: 5.163 HB2 :: 2.10 HB3 :: 2.10 HG2 :: 2.54 HG3 :: 2.66 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 :: 120.99 Ave N Shift Values>> N :: 120.1(3.88) 1.L80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> L 0.5 C 0.22 R 0.13 G 0.11 C Shift Assignments>> C :: 174.73 CA :: 54.071 CB :: 43.54 CG :: 27.71 CD1 :: 25.58 CD2 :: 24.15 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 :: 8.905 HA :: 5.235 HB2 :: 1.868 HB3 :: 1.022 HG :: 1.225 HD11 :: 0.233 HD12 :: 0.233 HD13 :: 0.233 HD21 :: 0.679 HD22 :: 0.679 HD23 :: 0.679 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) 1.M81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.39 A 0.31 C 0.28 C Shift Assignments>> C :: 174.45 CA :: 53.83 CB :: 34.81 CG :: 32.10 CE :: 17.2 Ave C Shift Values>> C :: 176.3(2.13) CA :: 56.16(2.34) CB :: 32.9(2.23) CG :: 32.07(1.45) CE :: 17.21(3.42) H Shift Assignments>> H :: 9.229 HA :: 4.96 HB2 :: 2.194 HB3 :: 1.946 HG2 :: 2.594 HG3 :: 2.514 HE1 :: 2.12 HE2 :: 2.12 HE3 :: 2.12 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.39(0.46) HB2 :: 2.03(0.38) HB3 :: 2.01(0.36) HG2 :: 2.44(0.36) HG3 :: 2.41(0.4) HE :: 1.86(0.47) N Shift Assignments>> N :: 125.712 Ave N Shift Values>> N :: 120.1(3.88) 1.A82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.73 M 0.12 L 0.07 C 0.06 C Shift Assignments>> C :: 177.47 CA :: 51.01 CB :: 21.124 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.891 HA :: 5.043 HB1 :: 1.487 HB2 :: 1.487 HB3 :: 1.487 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 126.315 Ave N Shift Values>> N :: 123.23(3.7) 1.S83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.V28 1.V28 C Shift Assignments>> C :: 174.36 CA :: 58.534 CB :: 64.14 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 8.719 HA :: 4.497 HB2 :: 3.865 HB3 :: 3.865 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 :: 117.987 Ave N Shift Values>> N :: 116.3(3.95) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.25 C 0.24 K 0.2 E 0.14 M 0.12 R 0.02 C Shift Assignments>> C :: 175.37 CA :: 55.89 CB :: 29.86 CG :: 34.03 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 :: 8.629 HA :: 4.449 HB2 :: 2.202 HB3 :: 2.023 HG2 :: 2.391 HG3 :: 2.391 HE21 :: 6.906 HE22 :: 7.65 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 :: 122.746 NE2 :: 112.90 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.12 L 0.05 C Shift Assignments>> C :: 178.98 CA :: 46.444 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.145 HA2 :: 3.761 HA3 :: 3.761 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 116.556 Ave N Shift Values>> N :: 109.91(4.29) ########################################################################### Overall Results: #Consistent: 83 #Clerical: 0 #Suspicious: 2 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 76 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 9 Shift Relative Order (SRO) Results: #Consistent: 85 #Suspicious: 0 C Shift Results: #Consistent: 342 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 559 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 75 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.Q52 NE2 = 101.3(S), Expected = 111.81, Std = 2.2000, ChiSquare = 1.7769e-06 1.K57 HG3 = 0.142(S), Expected = 1.37, Std = 0.2900, ChiSquare = 2.2908e-05