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.P2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.L3 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: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.098 HA :: 4.426 HB2 :: 3.781 HB3 :: 3.781 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) 1.Y6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> N 0.26 I 0.25 Y 0.23 C 0.13 D 0.06 E 0.01 L 0.01 C Shift Assignments>> CB :: 38.756 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 :: 8.251 HA :: 4.624 HB2 :: 3.113 HB3 :: 2.933 HD1 :: 7.115 HD2 :: 7.115 HE1 :: 6.800 HE2 :: 6.800 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) 1.E7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.36 C 0.34 M 0.1 K 0.07 I 0.05 Q 0.04 C Shift Assignments>> C :: 176.552 CA :: 57.035 CB :: 30.338 CG :: 36.261 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 :: 7.908 HA :: 4.275 HB2 :: 2.030 HB3 :: 1.890 HG2 :: 2.202 HG3 :: 2.202 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) 1.T8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 174.121 CA :: 61.439 CB :: 69.877 CG2 :: 21.318 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 :: 7.901 HA :: 4.391 HB :: 4.205 HG21 :: 1.093 HG22 :: 1.093 HG23 :: 1.093 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 :: 113.376 Ave N Shift Values>> N :: 115.7(5.05) 1.D9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.29 L 0.21 K 0.14 C 0.12 N 0.09 Y 0.08 R 0.04 HN Overlap>> 1.K49 1.K49 C Shift Assignments>> C :: 175.683 CA :: 54.476 CB :: 41.198 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 :: 4.618 HB2 :: 2.626 HB3 :: 2.626 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 :: 122.261 Ave N Shift Values>> N :: 120.73(4.2) 1.H10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.18 K 0.18 C 0.17 Q 0.13 R 0.08 W 0.07 H 0.07 E 0.05 V 0.02 C Shift Assignments>> C :: 175.091 CA :: 56.267 CB :: 32.801 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 :: 8.209 HA :: 4.892 HB2 :: 3.287 HB3 :: 2.837 HD2 :: 7.635 HE1 :: 8.561 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 :: 116.508 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.Q11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.27 C 0.25 R 0.2 Q 0.18 M 0.06 E 0.01 C Shift Assignments>> C :: 174.707 CA :: 54.745 CB :: 28.144 CG :: 32.424 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 :: 8.595 HA :: 4.328 HB2 :: 1.802 HB3 :: 1.608 HG2 :: 2.380 HG3 :: 2.040 HE21 :: 7.255 HE22 :: 6.876 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 :: 119.228 NE2 :: 109.980 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 N 0.3 C 0.12 L 0.12 Y 0.05 K 0.03 HN Overlap>> 1.D39 1.D39 C Shift Assignments>> C :: 174.498 CA :: 52.485 CB :: 40.471 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 :: 7.981 HA :: 4.481 HB2 :: 2.858 HB3 :: 2.567 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 :: 117.016 Ave N Shift Values>> N :: 120.73(4.2) 1.Y13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.2 L 0.15 C 0.12 Y 0.07 K 0.06 R 0.01 C Shift Assignments>> C :: 172.035 CA :: 53.592 CB :: 40.616 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 :: 6.416 HA :: 4.462 HB2 :: 2.600 HB3 :: 2.242 HD1 :: 6.883 HD2 :: 6.883 HE1 :: 6.757 HE2 :: 6.757 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 :: 112.948 Ave N Shift Values>> N :: 120.79(4.69) 1.C14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 M 0.13 R 0.13 K 0.13 W 0.12 H 0.1 E 0.1 Q 0.06 V 0.03 I 0.01 C Shift Assignments>> C :: 176.716 CA :: 57.211 CB :: 31.689 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.349 HA :: 3.961 HB2 :: 3.425 HB3 :: 1.742 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 :: 121.426 Ave N Shift Values>> N :: 119.95(4.79) 1.E15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.27 Q 0.18 E 0.15 K 0.06 C Shift Assignments>> C :: 176.642 CA :: 57.531 CB :: 31.592 CG :: 34.007 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 :: 8.801 HA :: 4.113 HB2 :: 1.385 HB3 :: 1.661 HG2 :: 2.398 HG3 :: 2.398 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 :: 130.573 Ave N Shift Values>> N :: 120.68(3.68) 1.V16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.93 C 0.06 C Shift Assignments>> C :: 177.396 CA :: 65.444 CB :: 33.145 CG1 :: 21.203 CG2 :: 20.936 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 :: 8.820 HA :: 3.995 HB :: 2.285 HG11 :: 1.302 HG12 :: 1.302 HG13 :: 1.302 HG21 :: 1.142 HG22 :: 1.142 HG23 :: 1.142 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 :: 119.129 Ave N Shift Values>> N :: 121.02(4.96) 1.C17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.14 R 0.12 E 0.11 K 0.1 M 0.09 H 0.08 V 0.07 Q 0.05 I 0.02 C Shift Assignments>> C :: 176.096 CA :: 58.742 CB :: 31.636 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 7.945 HA :: 5.011 HB2 :: 3.368 HB3 :: 2.952 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 :: 116.836 Ave N Shift Values>> N :: 119.95(4.79) 1.Q18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 K 0.28 Q 0.1 I 0.05 R 0.04 E 0.03 M 0.02 V 0.01 C Shift Assignments>> C :: 174.464 CA :: 58.301 CB :: 25.682 CG :: 34.617 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 :: 8.454 HA :: 4.070 HB2 :: 2.349 HB3 :: 2.147 HG2 :: 2.174 HG3 :: 2.109 HE21 :: 7.147 HE22 :: 6.578 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 :: 117.161 NE2 :: 112.806 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.Q19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.27 Q 0.21 E 0.09 K 0.07 C Shift Assignments>> C :: 176.418 CA :: 54.273 CB :: 31.283 CG :: 33.919 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 :: 8.416 HA :: 4.845 HB2 :: 2.423 HB3 :: 2.325 HG2 :: 2.489 HG3 :: 2.489 HE21 :: 7.411 HE22 :: 6.897 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 :: 118.402 NE2 :: 113.340 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.26 G 0.26 C 0.1 D 0.03 Y 0.02 K 0.01 C Shift Assignments>> C :: 174.340 CA :: 44.041 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.573 HA2 :: 4.436 HA3 :: 3.907 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.173 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 0.56 L 0.17 R 0.12 C 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.088 CA :: 44.715 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.668 HA2 :: 4.578 HA3 :: 3.685 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.692 Ave N Shift Values>> N :: 109.91(4.29) 1.E22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 E 0.32 K 0.14 I 0.07 Q 0.06 M 0.01 C Shift Assignments>> C :: 175.338 CA :: 56.600 CB :: 28.407 CG :: 36.160 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 :: 8.891 HA :: 4.326 HB2 :: 2.098 HB3 :: 2.019 HG2 :: 2.247 HG3 :: 2.195 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 125.737 Ave N Shift Values>> N :: 120.68(3.68) 1.I23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 I 0.39 A 0.01 C Shift Assignments>> C :: 174.977 CA :: 59.162 CB :: 40.737 CG1 :: 23.437 CG2 :: 17.224 CD1 :: 12.346 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.893 HA :: 4.629 HB :: 1.423 HG12 :: 1.158 HG13 :: 1.048 HG21 :: 0.027 HG22 :: 0.027 HG23 :: 0.027 HD11 :: 0.373 HD12 :: 0.373 HD13 :: 0.373 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 119.280 Ave N Shift Values>> N :: 121.6(4.72) 1.I24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.37 C Shift Assignments>> C :: 175.109 CA :: 59.767 CB :: 39.281 CG1 :: 26.497 CG2 :: 17.537 CD1 :: 12.804 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 :: 9.189 HA :: 4.308 HB :: 1.585 HG12 :: 1.255 HG13 :: 0.967 HG21 :: 0.522 HG22 :: 0.522 HG23 :: 0.522 HD11 :: 0.074 HD12 :: 0.074 HD13 :: 0.074 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 121.444 Ave N Shift Values>> N :: 121.6(4.72) 1.L25 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.67 C 0.23 A 0.06 R 0.01 C Shift Assignments>> C :: 176.556 CA :: 53.762 CB :: 41.260 CG :: 26.812 CD1 :: 24.695 CD2 :: 22.900 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 :: 8.432 HA :: 4.624 HB2 :: 1.516 HB3 :: 0.168(S) HG :: 1.501 HD11 :: 0.542 HD12 :: 0.542 HD13 :: 0.542 HD21 :: 0.498 HD22 :: 0.498 HD23 :: 0.498 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 :: 123.720 Ave N Shift Values>> N :: 121.98(4.07) 1.C26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.18 C 0.15 V 0.14 W 0.14 P 0.09 E 0.07 R 0.07 H 0.04 Q 0.03 K 0.02 M 0.01 C Shift Assignments>> C :: 176.782 CA :: 61.240 CB :: 30.291 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.528 HA :: 4.645 HB2 :: 3.705 HB3 :: 2.536 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 :: 125.169 Ave N Shift Values>> N :: 119.95(4.79) 1.D27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.29 L 0.19 K 0.18 C 0.15 Y 0.09 D 0.04 G 0.02 I 0.02 C Shift Assignments>> C :: 177.918 CA :: 57.986 CB :: 42.748 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 :: 9.230 HA :: 5.008 HB2 :: 2.896 HB3 :: 2.752 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 :: 127.666 Ave N Shift Values>> N :: 120.73(4.2) 1.T28 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 :: 173.109 CA :: 61.564 CB :: 69.569 CG2 :: 22.023 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 :: 10.045 HA :: 4.551 HB :: 4.649 HG1 :: 6.365 HG21 :: 0.991 HG22 :: 0.991 HG23 :: 0.991 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 :: 113.406 Ave N Shift Values>> N :: 115.7(5.05) 1.C29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.14 E 0.14 R 0.13 H 0.1 Q 0.08 K 0.06 M 0.05 I 0.05 V 0.05 C Shift Assignments>> C :: 172.227 CA :: 58.854 CB :: 30.579 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.289 HA :: 4.846 HB2 :: 3.134 HB3 :: 2.764 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 :: 128.016 Ave N Shift Values>> N :: 119.95(4.79) 1.P30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.87 C 0.12 C Shift Assignments>> C :: 176.531 CA :: 64.055 CB :: 31.960 CG :: 27.278 CD :: 50.321 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 :: 4.220 HB2 :: 2.168 HB3 :: 1.881 HG2 :: 1.812 HG3 :: 1.753 HD2 :: 3.613 HD3 :: 3.354 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.R31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.24 G 0.2 K 0.07 C Shift Assignments>> C :: 173.435 CA :: 58.344 CB :: 31.792 CG :: 29.555 CD :: 44.149 Ave C Shift Values>> C :: 176.49(2.16) CA :: 56.95(2.41) CB :: 30.66(1.77) CG :: 27.31(1.65) CD :: 43.1(1.1) CZ :: 159.01(0.87) H Shift Assignments>> H :: 9.196 HA :: 3.787 HB2 :: 2.035 HB3 :: 1.464 HG2 :: 1.875 HG3 :: 1.469 HD2 :: 3.283 HD3 :: 2.911 HE :: 6.784 HH11 :: 6.209 HH12 :: 6.209 HH21 :: 6.207 HH22 :: 6.207 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 :: 121.255 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.A32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.46 L 0.21 C 0.18 K 0.05 R 0.02 M 0.01 A 0.01 C Shift Assignments>> C :: 175.674 CA :: 50.016 CB :: 24.536 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 7.078 HA :: 5.564 HB1 :: 1.046 HB2 :: 1.046 HB3 :: 1.046 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.42) HB :: 1.38(0.25) N Shift Assignments>> N :: 119.885 Ave N Shift Values>> N :: 123.23(3.7) 1.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.34 R 0.22 L 0.2 C 0.17 Y 0.02 D 0.01 C Shift Assignments>> C :: 176.764 CA :: 57.397 CB :: 44.588 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 :: 8.862 HA :: 5.473 HB2 :: 3.005 HB3 :: 2.503 HD1 :: 7.095 HD2 :: 7.095 HE1 :: 6.913 HE2 :: 6.913 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 :: 114.788 Ave N Shift Values>> N :: 120.79(4.69) 1.H34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.14 R 0.13 W 0.13 E 0.12 M 0.11 H 0.1 K 0.1 Q 0.07 V 0.03 I 0.01 C Shift Assignments>> C :: 177.345 CA :: 57.812 CB :: 31.359 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 :: 9.517 HA :: 4.956 HB2 :: 3.761 HB3 :: 3.505 HD2 :: 7.396 HE1 :: 7.397 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 :: 120.449 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.M35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.56 M 0.42 I 0.01 C Shift Assignments>> C :: 178.373 CA :: 60.388 CB :: 32.547 CG :: 32.175 CE :: 16.900 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 :: 9.379 HA :: 3.985 HB2 :: 2.086 HB3 :: 1.996 HG2 :: 2.504 HG3 :: 2.355 HE1 :: 1.841 HE2 :: 1.841 HE3 :: 1.841 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 :: 125.337 Ave N Shift Values>> N :: 120.1(3.88) 1.V36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.87 C 0.12 C Shift Assignments>> C :: 176.842 CA :: 64.151 CB :: 31.495 CG1 :: 21.015 CG2 :: 21.022 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 :: 8.174 HA :: 4.045 HB :: 2.209 HG11 :: 1.028 HG12 :: 1.028 HG13 :: 1.028 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 :: 111.873 Ave N Shift Values>> N :: 121.02(4.96) 1.C37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.31 P 0.14 C 0.14 V 0.13 W 0.1 E 0.04 R 0.03 H 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.185 CA :: 62.251 CB :: 29.669 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 6.912 HA :: 4.210 HB2 :: 3.133 HB3 :: 3.133 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 :: 118.786 Ave N Shift Values>> N :: 119.95(4.79) 1.L38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.25 G 0.09 K 0.05 C Shift Assignments>> C :: 177.321 CA :: 56.358 CB :: 43.292 CD1 :: 25.549 CD2 :: 24.061 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 :: 7.478 HA :: 4.310 HB2 :: 1.961 HB3 :: 1.579 HG :: 1.671 HD11 :: 0.696 HD12 :: 0.696 HD13 :: 0.696 HD21 :: 0.705 HD22 :: 0.705 HD23 :: 0.705 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 :: 120.422 Ave N Shift Values>> N :: 121.98(4.07) 1.D39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.25 C 0.13 R 0.09 K 0.08 N 0.08 G 0.03 Y 0.02 HN Overlap>> 1.D12 1.D12 C Shift Assignments>> C :: 174.372 CA :: 52.092 CB :: 42.396 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 :: 8.033 HA :: 4.782 HB2 :: 2.758 HB3 :: 2.664 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 :: 117.028 Ave N Shift Values>> N :: 120.73(4.2) 1.P40 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 :: 176.759 CA :: 64.357 CB :: 32.174 CG :: 27.010 CD :: 50.924 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 :: 4.419 HB2 :: 2.373 HB3 :: 1.987 HG2 :: 2.116 HG3 :: 2.053 HD2 :: 3.915 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.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.21 K 0.13 C 0.11 N 0.1 Y 0.07 R 0.03 C Shift Assignments>> C :: 176.222 CA :: 54.221 CB :: 41.218 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 :: 8.308 HA :: 4.702 HB2 :: 2.776 HB3 :: 2.562 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 :: 116.733 Ave N Shift Values>> N :: 120.73(4.2) 1.M42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.47 A 0.04 C Shift Assignments>> C :: 175.627 CA :: 56.958 CB :: 33.198 CG :: 31.745 CE :: 16.704 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 :: 7.701 HA :: 4.146 HB2 :: 2.021 HB3 :: 2.021 HG2 :: 2.492 HG3 :: 2.492 HE1 :: 1.932 HE2 :: 1.932 HE3 :: 1.932 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 :: 122.495 Ave N Shift Values>> N :: 120.1(3.88) 1.E43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 E 0.35 M 0.17 I 0.03 Q 0.02 K 0.02 C Shift Assignments>> C :: 175.793 CA :: 57.060 CB :: 31.528 CG :: 36.359 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 :: 8.577 HA :: 4.237 HB2 :: 2.010 HB3 :: 1.914 HG2 :: 2.260 HG3 :: 2.155 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 :: 124.628 Ave N Shift Values>> N :: 120.68(3.68) 1.K44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.43 C 0.4 R 0.1 M 0.03 G 0.01 C Shift Assignments>> C :: 174.408 CA :: 54.799 CB :: 34.629 CG :: 24.096 CD :: 29.185 CE :: 42.142 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 :: 7.693 HA :: 4.360 HB2 :: 1.736 HB3 :: 1.597 HG2 :: 1.326 HG3 :: 1.285 HD2 :: 1.583 HD3 :: 1.583 HE2 :: 2.924 HE3 :: 2.924 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 :: 119.280 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.A45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.82 M 0.15 C 0.01 C Shift Assignments>> C :: 175.426 CA :: 50.633 CB :: 17.342 Ave C Shift Values>> C :: 177.8(2.18) CA :: 53.16(2.06) CB :: 18.9(1.85) H Shift Assignments>> H :: 8.438 HA :: 4.288 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 :: 126.779 Ave N Shift Values>> N :: 123.23(3.7) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.82 C 0.17 C Shift Assignments>> C :: 176.494 CA :: 63.378 CB :: 32.286 CG :: 27.117 CD :: 50.127 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 :: 4.231 HB2 :: 2.165 HB3 :: 1.687 HG2 :: 1.382 HG3 :: 1.248 HD2 :: 3.446 HD3 :: 3.250 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.E47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.39 E 0.36 M 0.16 I 0.02 K 0.02 Q 0.01 C Shift Assignments>> C :: 176.683 CA :: 55.944 CB :: 31.192 CG :: 36.685 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 :: 8.390 HA :: 4.379 HB2 :: 2.038 HB3 :: 1.904 HG2 :: 2.243 HG3 :: 2.211 Ave H Shift Values>> H :: 8.34(0.61) HA :: 4.26(0.43) HB2 :: 2.04(0.22) HB3 :: 2.04(0.23) HG2 :: 2.31(0.21) HG3 :: 2.31(0.21) N Shift Assignments>> N :: 121.555 Ave N Shift Values>> N :: 120.68(3.68) 1.G48 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 0.1 D 0.01 Y 0.01 C Shift Assignments>> C :: 173.354 CA :: 44.740 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 8.316 HA2 :: 4.028 HA3 :: 3.911 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 110.846 Ave N Shift Values>> N :: 109.91(4.29) 1.K49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.17 M 0.03 HN Overlap>> 1.D9 1.D9 C Shift Assignments>> C :: 176.375 CA :: 56.682 CB :: 32.815 CG :: 24.824 CD :: 29.313 CE :: 42.032 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 :: 8.186 HA :: 4.418 HB2 :: 1.740 HB3 :: 1.740 HG2 :: 1.469 HG3 :: 1.378 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 :: 122.338 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.W50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.16 C 0.15 E 0.13 R 0.13 H 0.09 Q 0.07 V 0.06 K 0.06 M 0.05 I 0.05 C Shift Assignments>> C :: 173.490 CA :: 59.114 CB :: 30.739 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 :: 9.782 HA :: 4.661 HB2 :: 3.305 HB3 :: 2.964 HD1 :: 7.296 HE1 :: 9.862 HE3 :: 7.548 HZ2 :: 7.073 HZ3 :: 6.613 HH2 :: 6.464 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 :: 129.570 NE1 :: 129.564 Ave N Shift Values>> N :: 121.87(4.58) NE1 :: 129.48(2.56) 1.S51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 172.371 CA :: 56.923 CB :: 65.248 Ave C Shift Values>> C :: 174.53(1.73) CA :: 58.57(2.12) CB :: 63.8(1.57) H Shift Assignments>> H :: 7.304 HA :: 5.106 HB2 :: 3.409 HB3 :: 3.213 Ave H Shift Values>> H :: 8.29(0.62) HA :: 4.51(0.43) HB2 :: 3.88(0.29) HB3 :: 3.87(0.31) HG :: 5.33(1.16) N Shift Assignments>> N :: 122.730 Ave N Shift Values>> N :: 116.3(3.95) 1.C52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 C 0.13 W 0.13 E 0.12 H 0.12 M 0.11 K 0.1 Q 0.08 V 0.02 I 0.01 C Shift Assignments>> C :: 173.182 CA :: 57.030 CB :: 31.174 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 9.121 HA :: 3.461 HB2 :: 3.144 HB3 :: 2.342 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 :: 128.696 Ave N Shift Values>> N :: 119.95(4.79) 1.P53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.88 C 0.11 C Shift Assignments>> C :: 179.228 CA :: 65.344 CB :: 32.191 CG :: 27.965 CD :: 50.006 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 :: 4.192 HB2 :: 2.361 HB3 :: 1.744 HG2 :: 2.346 HG3 :: 1.920 HD2 :: 3.418 HD3 :: 3.032 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.H54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 W 0.16 V 0.12 I 0.11 E 0.1 R 0.09 H 0.06 P 0.04 Q 0.04 K 0.03 M 0.03 C Shift Assignments>> C :: 177.484 CA :: 60.458 CB :: 30.621 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 :: 8.241 HA :: 4.161 HB2 :: 3.216 HB3 :: 3.216 HD2 :: 7.346 Ave H Shift Values>> H :: 8.25(0.74) HA :: 4.62(0.51) HB2 :: 3.12(0.43) HB3 :: 3.11(0.45) HD1 :: 10.14(3.5) HD2 :: 7.08(0.5) HE1 :: 8.08(0.57) HE2 :: 10.43(3.11) N Shift Assignments>> N :: 119.267 Ave N Shift Values>> N :: 119.44(4.52) ND1 :: 190.74(22.84) NE2 :: 179.81(13.86) 1.C55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.47 P 0.38 C 0.05 V 0.05 W 0.01 C Shift Assignments>> C :: 178.248 CA :: 65.144 CB :: 28.237 Ave C Shift Values>> C :: 174.78(1.99) CA :: 57.43(3.41) CB :: 34.15(6.77) H Shift Assignments>> H :: 8.250 HA :: 3.829 HB2 :: 2.971 HB3 :: 2.681 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 :: 124.155 Ave N Shift Values>> N :: 119.95(4.79) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 I 0.16 K 0.05 M 0.04 Q 0.02 C Shift Assignments>> C :: 178.617 CA :: 58.890 CB :: 29.981 CG :: 36.484 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 :: 8.310 HA :: 3.911 HB2 :: 1.881 HB3 :: 1.835 HG2 :: 2.103 HG3 :: 2.103 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 :: 118.638 Ave N Shift Values>> N :: 120.68(3.68) 1.K57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.39 C 0.38 R 0.18 M 0.02 C Shift Assignments>> C :: 177.783 CA :: 58.016 CB :: 32.815 CG :: 24.859 CD :: 29.078 CE :: 42.111 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 :: 7.565 HA :: 4.103 HB2 :: 1.832 HB3 :: 1.832 HG2 :: 1.473 HG3 :: 1.399 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 3.158 HE3 :: 3.158 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 :: 119.075 Ave N Shift Values>> N :: 121.16(4.11) NZ :: 71.86(52.41) 1.E58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.34 M 0.09 K 0.09 Q 0.05 I 0.05 C Shift Assignments>> C :: 177.238 CA :: 56.862 CB :: 30.133 CG :: 36.163 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 :: 7.822 HA :: 4.170 HB2 :: 2.066 HB3 :: 1.817 HG2 :: 2.147 HG3 :: 2.147 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 :: 118.445 Ave N Shift Values>> N :: 120.68(3.68) 1.G59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.8 C 0.08 L 0.08 R 0.02 C Shift Assignments>> C :: 174.100 CA :: 45.530 Ave C Shift Values>> C :: 174.04(1.94) CA :: 45.33(1.42) H Shift Assignments>> H :: 7.871 HA2 :: 3.987 HA3 :: 3.869 Ave H Shift Values>> H :: 8.34(0.74) HA2 :: 3.95(0.4) HA3 :: 3.93(0.4) N Shift Assignments>> N :: 108.526 Ave N Shift Values>> N :: 109.91(4.29) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.29 C Shift Assignments>> C :: 175.368 CA :: 61.290 CB :: 38.523 CG1 :: 27.395 CG2 :: 17.717 CD1 :: 12.749 Ave C Shift Values>> C :: 175.82(1.95) CA :: 61.59(2.78) CB :: 38.58(2.09) CG1 :: 27.65(2.32) CG2 :: 17.36(1.6) CD1 :: 13.41(1.91) H Shift Assignments>> H :: 7.854 HA :: 4.122 HB :: 1.831 HG12 :: 1.455 HG13 :: 1.169 HG21 :: 0.914 HG22 :: 0.914 HG23 :: 0.914 HD11 :: 0.859 HD12 :: 0.859 HD13 :: 0.859 Ave H Shift Values>> H :: 8.26(0.71) HA :: 4.2(0.56) HB :: 1.8(0.31) HG2 :: 0.8(0.29) HG12 :: 1.3(0.4) HG13 :: 1.24(0.4) HD1 :: 0.7(0.3) N Shift Assignments>> N :: 120.736 Ave N Shift Values>> N :: 121.6(4.72) 1.Q61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.14 W 0.13 C 0.13 E 0.13 H 0.12 M 0.1 K 0.09 Q 0.09 V 0.02 I 0.01 C Shift Assignments>> C :: 180.455 CA :: 57.176 CB :: 31.025 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 :: 7.924 HA :: 4.185 HB2 :: 2.082 HB3 :: 1.894 HE21 :: 7.481 HE22 :: 6.764 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 :: 129.444 NE2 :: 112.541 Ave N Shift Values>> N :: 119.92(4.01) NE2 :: 111.81(2.2) 2.ZN1 Overall Status: Residue type ZN not supported. ########################################################################### Overall Results: #Consistent: 60 #Clerical: 0 #Suspicious: 1 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 56 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 5 Shift Relative Order (SRO) Results: #Consistent: 61 #Suspicious: 0 C Shift Results: #Consistent: 215 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 371 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 N Shift Results: #Consistent: 55 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 Error Summary: 1.L25 HB3 = 0.168(S), Expected = 1.57, Std = 0.3600, ChiSquare = 9.8424e-05