Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.G1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> R 0.38 L 0.29 G 0.1 D 0.05 F 0.05 C 0.03 Y 0.02 K 0.02 C Shift Assignments>> CA :: 43.570 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> HA2 :: 3.924 HA3 :: 3.925 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 1.S2 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> S 0.99 C Shift Assignments>> CA :: 58.400 CB :: 64.025 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> HA :: 4.527 HB2 :: 3.869 HB3 :: 3.871 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 1.H3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> H 0.36 W 0.36 C 0.27 C Shift Assignments>> CA :: 56.144 CB :: 30.109 CD2 :: 120.549 CE1 :: 138.170 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> HA :: 4.720 HB2 :: 3.168 HB3 :: 3.248 HD2 :: 7.171 HE1 :: 8.197 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) 1.M4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.13 M 0.1 D 0.09 H 0.09 Q 0.08 R 0.07 K 0.06 W 0.05 C 0.05 E 0.05 F 0.04 N 0.04 Y 0.04 A 0.03 S 0.01 C Shift Assignments>> CA :: 55.499 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.424 HA :: 4.448 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.925 Ave N Shift Values>> N :: 120.09(3.57) 1.A5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.86 M 0.1 C 0.01 C Shift Assignments>> CA :: 52.680 CB :: 19.247 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.434 HA :: 4.347 HB1 :: 1.435 HB2 :: 1.435 HB3 :: 1.435 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 125.550 Ave N Shift Values>> N :: 123.23(3.54) 1.M6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.17 C 0.15 Q 0.15 R 0.09 H 0.08 W 0.05 E 0.03 C Shift Assignments>> CA :: 55.227 CB :: 32.942 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.358 HA :: 4.436 HB2 :: 2.043 HB3 :: 1.968 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.511 Ave N Shift Values>> N :: 120.09(3.57) 1.A7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.88 M 0.06 C 0.02 L 0.01 C Shift Assignments>> CA :: 52.667 CB :: 19.775 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.163 HA :: 4.275 HB1 :: 1.332 HB2 :: 1.332 HB3 :: 1.332 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.379 Ave N Shift Values>> N :: 123.23(3.54) 1.Y8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.55 C 0.44 C Shift Assignments>> CA :: 58.154 CB :: 37.779 CD1 :: 133.607 CE1 :: 118.627 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 8.504 HA :: 4.534 HB2 :: 2.870 HB3 :: 3.620 HD1 :: 7.063 HD2 :: 7.063 HE1 :: 6.849 HE2 :: 6.849 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 118.558 Ave N Shift Values>> N :: 120.52(4.2) 1.V9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.57 C 0.42 C Shift Assignments>> CA :: 61.406 CB :: 33.721 CG1 :: 20.329 CG2 :: 20.564 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.347 HA :: 4.340 HB :: 1.676 HG11 :: 0.496 HG12 :: 0.496 HG13 :: 0.496 HG21 :: 0.362 HG22 :: 0.362 HG23 :: 0.362 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 119.321 Ave N Shift Values>> N :: 121.14(4.54) 1.I10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.62 C 0.37 HN Overlap>> 1.I18 1.I18 C Shift Assignments>> CA :: 60.078 CB :: 40.142 CG1 :: 26.922 CG2 :: 17.778 CD1 :: 13.258 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.691 HA :: 4.356 HB :: 1.856 HG12 :: 1.350 HG13 :: 1.046 HG21 :: 0.818 HG22 :: 0.818 HG23 :: 0.818 HD11 :: 0.813 HD12 :: 0.813 HD13 :: 0.813 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.649 Ave N Shift Values>> N :: 121.46(4.28) 1.R11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.38 C 0.35 K 0.15 G 0.1 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> CA :: 54.056 CB :: 33.259 CG :: 27.726 CD :: 43.328 Ave C Shift Values>> C :: 176.41(2.03) CA :: 56.77(2.31) CB :: 30.7(1.83) CG :: 27.21(1.2) CD :: 43.16(0.88) CZ :: 159.97(2.95) H Shift Assignments>> H :: 8.207 HA :: 5.192 HB2 :: 1.578 HB3 :: 1.578 HG2 :: 1.459 HG3 :: 1.376 HD2 :: 3.041 HD3 :: 3.041 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) N Shift Assignments>> N :: 122.053 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) 1.D12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 L 0.22 N 0.15 K 0.08 F 0.05 C 0.05 Y 0.03 R 0.02 C Shift Assignments>> CA :: 52.580 CB :: 41.469 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.560 HA :: 4.620 HB3 :: 3.338 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 122.211 Ave N Shift Values>> N :: 120.65(3.86) 1.E13 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.3 Q 0.21 K 0.2 E 0.19 I 0.04 R 0.02 C Shift Assignments>> CA :: 58.113 CB :: 28.614 CG :: 34.879 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.966 HA :: 3.941 HB2 :: 1.518 HB3 :: 1.406 HG2 :: 1.209(S) HG3 :: 1.209(S) Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 117.331 Ave N Shift Values>> N :: 120.67(3.48) 1.W14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 W 0.48 C Shift Assignments>> CA :: 56.990 CB :: 29.091 CD1 :: 127.408 CE3 :: 121.194 CZ2 :: 115.606 CZ3 :: 122.654 CH2 :: 125.222 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.011 HA :: 4.760 HB2 :: 3.179 HB3 :: 3.564 HD1 :: 7.260 HE1 :: 10.074 HE3 :: 7.666 HZ2 :: 7.459 HZ3 :: 7.173 HH2 :: 7.219 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.370 NE1 :: 128.997 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.81 L 0.1 C 0.03 R 0.01 F 0.01 C Shift Assignments>> CA :: 45.216 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.121 HA2 :: 4.343 HA3 :: 3.631 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.593 Ave N Shift Values>> N :: 109.67(3.87) 1.N16 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.52 D 0.17 C 0.09 Y 0.07 F 0.07 L 0.04 C Shift Assignments>> CA :: 53.131 CB :: 38.824 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.865 HA :: 4.774 HB2 :: 3.046 HB3 :: 2.726 HD21 :: 7.307 HD22 :: 8.898(S) Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 121.208 ND2 :: 118.581 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.Q17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.29 C 0.24 K 0.19 E 0.13 M 0.12 C Shift Assignments>> CA :: 56.170 CB :: 29.983 CG :: 34.230 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.706 HA :: 4.559 HB2 :: 1.480 HB3 :: 1.791 HG2 :: 1.510 HG3 :: 2.071 HE22 :: 6.869 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 121.417 NE2 :: 111.055 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.I18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 HN Overlap>> 1.I10 1.I10 C Shift Assignments>> CA :: 60.059 CB :: 40.627 CG1 :: 27.211 CG2 :: 17.675 CD1 :: 13.245 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.580 HA :: 4.489 HB :: 1.706 HG12 :: 1.439 HG13 :: 1.129 HG21 :: 0.979 HG22 :: 0.979 HG23 :: 0.979 HD11 :: 0.862 HD12 :: 0.862 HD13 :: 0.862 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.652 Ave N Shift Values>> N :: 121.46(4.28) 1.W19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 W 0.4 C Shift Assignments>> CA :: 59.044 CB :: 31.682 CD1 :: 128.872 CE3 :: 122.441 CZ2 :: 114.810 CZ3 :: 122.749 CH2 :: 124.793 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.946 HA :: 4.799 HB2 :: 2.796 HB3 :: 3.030 HD1 :: 7.747 HE1 :: 10.002 HE3 :: 7.837 HZ2 :: 7.446 HZ3 :: 7.107 HH2 :: 7.133 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 127.668 NE1 :: 130.681 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.51 I 0.47 A 0.01 C Shift Assignments>> CA :: 58.378 CB :: 39.041 CG1 :: 27.129 CG2 :: 17.146 CD1 :: 11.199 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 8.676 HA :: 4.080 HB :: 1.787 HG12 :: 1.321 HG13 :: 1.091 HG21 :: 0.629 HG22 :: 0.629 HG23 :: 0.629 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 121.796 Ave N Shift Values>> N :: 121.46(4.28) 1.C21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 K 0.17 C 0.15 R 0.11 H 0.11 Q 0.09 W 0.07 E 0.05 V 0.01 C Shift Assignments>> CA :: 55.492 CB :: 32.463 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.982 HA :: 5.246 HB2 :: 1.933 HB3 :: 3.562 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 130.013 Ave N Shift Values>> N :: 120.17(4.64) 1.P22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.72 C 0.27 C Shift Assignments>> CA :: 63.058 CB :: 31.895 CG :: 27.838 CD :: 50.797 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.229 HB2 :: 2.032 HB3 :: 1.722 HG2 :: 1.508 HG3 :: 1.138 HD2 :: 1.530(S) HD3 :: 4.399 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.G23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.06 C 0.03 C Shift Assignments>> CA :: 46.200 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.798 HA2 :: 4.273 HA3 :: 3.871 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.866 Ave N Shift Values>> N :: 109.67(3.87) 1.C24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.17 K 0.17 M 0.14 R 0.11 H 0.09 W 0.09 Q 0.08 E 0.06 V 0.03 C Shift Assignments>> CA :: 57.424 CB :: 32.404 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.686 HA :: 5.081 HB2 :: 3.228 HB3 :: 3.274 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 116.487 Ave N Shift Values>> N :: 120.17(4.64) 1.N25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.22 C 0.18 Y 0.18 F 0.14 E 0.08 D 0.07 M 0.03 I 0.02 L 0.02 C Shift Assignments>> CA :: 55.426 CB :: 37.889 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 8.951 HA :: 4.432 HB2 :: 2.925 HB3 :: 3.171 HD21 :: 6.794 HD22 :: 7.521 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 120.205 ND2 :: 111.992 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.63 C 0.35 C Shift Assignments>> CA :: 53.923 CB :: 33.004 CG :: 25.036 CD :: 29.004 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.591 HA :: 5.039 HB2 :: 2.435 HB3 :: 2.101 HG2 :: 1.502 HG3 :: 1.675 HD2 :: 1.770 HD3 :: 1.770 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.373 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.P27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.52 C 0.47 C Shift Assignments>> CA :: 62.204 CB :: 33.551 CG :: 27.213 CD :: 50.936 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 5.104 HB2 :: 2.216 HB3 :: 2.067 HG2 :: 1.988 HG3 :: 1.988 HD2 :: 3.846 HD3 :: 3.757 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.D28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 R 0.19 D 0.18 K 0.12 F 0.06 C 0.04 Y 0.04 N 0.01 G 0.01 C Shift Assignments>> CA :: 54.724 CB :: 42.668 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.238 HA :: 4.566 HB2 :: 2.585 HB3 :: 3.027 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.466 Ave N Shift Values>> N :: 120.65(3.86) 1.D29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.23 L 0.18 F 0.15 K 0.15 Y 0.1 I 0.05 C 0.04 N 0.03 R 0.01 C Shift Assignments>> CB :: 41.352 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.482 HA :: 4.848 HB2 :: 3.201 HB3 :: 2.614 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 130.191 Ave N Shift Values>> N :: 120.65(3.86) 1.G30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.85 L 0.08 C 0.02 C Shift Assignments>> CA :: 45.440 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.679 HA2 :: 4.381 HA3 :: 3.802 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.860 Ave N Shift Values>> N :: 109.67(3.87) 1.S31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> CA :: 57.894 CB :: 61.054 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.287 HA :: 3.969 HB2 :: 3.830 HB3 :: 3.905 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) N Shift Assignments>> N :: 117.567 Ave N Shift Values>> N :: 116.28(3.52) 1.P32 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.66 C 0.33 C Shift Assignments>> CA :: 64.073 CB :: 29.899 CG :: 27.469 CD :: 49.330 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.365 HB2 :: 0.184(S) HB3 :: -0.384(S) HG2 :: 0.836(S) HG3 :: 0.944 HD2 :: 2.926 HD3 :: 2.705 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.M33 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.53 C 0.45 G 0.01 C Shift Assignments>> CA :: 54.575 CB :: 42.077(S) CG :: 34.612 CE :: 17.698 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.693 HA :: 5.663 HB2 :: 2.335 HB3 :: 1.751 HG2 :: 1.886 HG3 :: 2.941 HE1 :: 1.421 HE2 :: 1.421 HE3 :: 1.421 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 119.252 Ave N Shift Values>> N :: 120.09(3.57) 1.I34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.85 G 0.14 C Shift Assignments>> CA :: 59.259 CB :: 43.201 CG1 :: 27.331 CG2 :: 12.604(S) CD1 :: 14.827 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 9.770 HA :: 5.205 HB :: 1.122 HG12 :: 1.345 HG13 :: 0.353 HG21 :: -0.298(S) HG22 :: -0.298(S) HG23 :: -0.298(S) HD11 :: -0.407(S) HD12 :: -0.407(S) HD13 :: -0.407(S) Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 124.710 Ave N Shift Values>> N :: 121.46(4.28) 1.G35 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.32 R 0.26 K 0.11 D 0.09 F 0.07 Y 0.04 C 0.03 G 0.02 I 0.01 C Shift Assignments>> CA :: 42.781 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.535 HA2 :: 3.666 HA3 :: 1.039(S) Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.966 Ave N Shift Values>> N :: 109.67(3.87) 1.C36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.24 V 0.17 W 0.13 R 0.08 E 0.07 K 0.07 H 0.06 M 0.04 P 0.04 Q 0.02 I 0.02 C Shift Assignments>> CA :: 60.318 CB :: 31.501 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> HA :: 4.549 HB2 :: 3.529 HB3 :: 2.838 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) 1.D37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.22 K 0.18 Y 0.18 L 0.14 D 0.09 C 0.09 I 0.03 R 0.02 C Shift Assignments>> CA :: 57.577 CB :: 41.203 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.157 HA :: 4.750 HB2 :: 1.880 HB3 :: 2.754 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 129.636 Ave N Shift Values>> N :: 120.65(3.86) 1.D38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.32 L 0.28 D 0.08 K 0.07 F 0.07 C 0.05 Y 0.04 G 0.04 C Shift Assignments>> CA :: 56.282 CB :: 43.276 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 9.661 HA :: 5.172 HB2 :: 2.665 HB3 :: 3.821(S) Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 123.684 Ave N Shift Values>> N :: 120.65(3.86) 1.C39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.26 V 0.26 W 0.09 K 0.08 R 0.06 P 0.06 H 0.04 M 0.04 E 0.04 Q 0.02 C Shift Assignments>> CA :: 60.564 CB :: 32.275 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.269 HA :: 4.685 HB2 :: 3.299 HB3 :: 2.770 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 119.184 Ave N Shift Values>> N :: 120.17(4.64) 1.D40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.24 K 0.21 D 0.14 R 0.13 F 0.1 Y 0.07 C 0.05 N 0.01 C Shift Assignments>> CA :: 56.133 CB :: 42.210 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 7.894 HA :: 4.969 HB2 :: 3.356 HB3 :: 2.644 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 119.319 Ave N Shift Values>> N :: 120.65(3.86) 1.D41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.25 K 0.19 R 0.18 D 0.13 F 0.09 Y 0.06 C 0.05 C Shift Assignments>> CA :: 56.035 CB :: 42.452 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.750 HA :: 5.208 HB2 :: 2.591 HB3 :: 3.081 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.441 Ave N Shift Values>> N :: 120.65(3.86) 1.W42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 W 0.44 C Shift Assignments>> CA :: 56.774 CB :: 31.482 CD1 :: 129.236 CE3 :: 119.505 CZ2 :: 114.963 CZ3 :: 122.263 CH2 :: 124.072 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 9.214 HA :: 5.413 HB2 :: 2.837 HB3 :: 2.711 HD1 :: 7.431 HE1 :: 10.572 HE3 :: 7.011 HZ2 :: 7.277 HZ3 :: 6.545 HH2 :: 6.777 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 120.147 NE1 :: 130.192 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.Y43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.33 R 0.27 D 0.13 K 0.05 G 0.05 F 0.05 C 0.04 Y 0.03 C Shift Assignments>> CA :: 54.679 CB :: 43.311 Ave C Shift Values>> C :: 175.4(1.99) CA :: 58.13(2.51) CB :: 39.32(2.16) CG :: 129.75(4.96) CD1 :: 132.77(1.17) CD2 :: 132.73(1.3) CE1 :: 117.93(1.19) CE2 :: 117.9(1.18) CZ :: 156.76(1.99) H Shift Assignments>> H :: 9.175 HA :: 5.723 HB2 :: 2.945 HB3 :: 2.669 Ave H Shift Values>> H :: 8.32(0.73) HA :: 4.63(0.56) HB2 :: 2.91(0.37) HB3 :: 2.84(0.39) HD1 :: 6.93(0.3) HD2 :: 6.93(0.3) HE1 :: 6.7(0.23) HE2 :: 6.71(0.23) HH :: 9.3(1.36) N Shift Assignments>> N :: 116.295 Ave N Shift Values>> N :: 120.52(4.2) 1.H44 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.37 W 0.35 H 0.26 C Shift Assignments>> CA :: 58.484 CB :: 31.393 CD2 :: 119.955 CE1 :: 139.908 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 9.232 HA :: 5.029 HB2 :: 4.386(S) HB3 :: 3.758 HD2 :: 7.571 HE1 :: 7.513 HE2 :: 10.546 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 120.560 NE2 :: 164.161 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.W45 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.99 HN Overlap>> 1.K71 1.K71 C Shift Assignments>> CA :: 61.053 CB :: 25.468 CD1 :: 121.404 CE3 :: 121.756 CZ2 :: 112.751 CZ3 :: 121.978 CH2 :: 126.472 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.349 HA :: 4.403 HB2 :: 3.821 HB3 :: 3.121 HD1 :: 6.414 HE1 :: 7.937 HE3 :: 7.239 HZ2 :: 7.119 HZ3 :: 6.822 HH2 :: 7.074 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 122.213 NE1 :: 121.688(S) Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.25 C Shift Assignments>> CA :: 65.815 CB :: 30.728 CG :: 28.453 CD :: 50.993 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.548 HB2 :: 2.105 HB3 :: 2.499 HG2 :: 2.177 HG3 :: 2.273 HD2 :: 4.240 HD3 :: 4.031 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.C47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.42 C 0.21 P 0.14 V 0.08 W 0.07 K 0.01 E 0.01 R 0.01 H 0.01 C Shift Assignments>> CA :: 62.970 CB :: 29.080 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.323 HA :: 4.295 HB2 :: 3.633 HB3 :: 3.294 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 117.435 Ave N Shift Values>> N :: 120.17(4.64) 1.V48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.89 V 0.09 C Shift Assignments>> CA :: 60.052 CB :: 31.805 CG1 :: 23.838 CG2 :: 18.136 Ave C Shift Values>> C :: 175.62(1.9) CA :: 62.49(2.86) CB :: 32.73(1.79) CG1 :: 21.49(1.36) CG2 :: 21.26(1.56) H Shift Assignments>> H :: 7.599 HA :: 4.738 HB :: 2.769 HG11 :: 0.721 HG12 :: 0.721 HG13 :: 0.721 HG21 :: 0.714 HG22 :: 0.714 HG23 :: 0.714 Ave H Shift Values>> H :: 8.29(0.67) HA :: 4.19(0.58) HB :: 1.98(0.32) HG1 :: 0.83(0.26) HG2 :: 0.8(0.28) N Shift Assignments>> N :: 108.519 Ave N Shift Values>> N :: 121.14(4.54) 1.G49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 C 0.06 L 0.05 C Shift Assignments>> CA :: 46.995 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.511 HA2 :: 4.000 HA3 :: 3.864 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 108.686 Ave N Shift Values>> N :: 109.67(3.87) 1.I50 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.54 I 0.45 C Shift Assignments>> CA :: 59.654 CB :: 37.707 CG1 :: 26.579 CG2 :: 16.300 CD1 :: 11.022 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.808 HA :: 4.077 HB :: 1.334 HG12 :: 0.953 HG13 :: 0.769 HG21 :: -0.171(S) HG22 :: -0.171(S) HG23 :: -0.171(S) HD11 :: 0.129 HD12 :: 0.129 HD13 :: 0.129 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 119.989 Ave N Shift Values>> N :: 121.46(4.28) 1.M51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.49 C 0.3 Q 0.16 E 0.03 C Shift Assignments>> CA :: 54.703 CB :: 33.681 CG :: 32.264 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 8.752 HA :: 4.738 HB2 :: 2.223 HB3 :: 1.925 HG2 :: 2.488 HG3 :: 2.643 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 123.363 Ave N Shift Values>> N :: 120.09(3.57) 1.A52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.83 L 0.09 C 0.06 C Shift Assignments>> CA :: 50.600 CB :: 21.501 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.268 HA :: 4.331 HB1 :: 1.268 HB2 :: 1.268 HB3 :: 1.268 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.304 Ave N Shift Values>> N :: 123.23(3.54) 1.A53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.84 M 0.14 C Shift Assignments>> CA :: 50.742 CB :: 17.377 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.297 HA :: 3.502 HB1 :: 1.314 HB2 :: 1.314 HB3 :: 1.314 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.932 Ave N Shift Values>> N :: 123.23(3.54) 1.P54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.62 P 0.37 C Shift Assignments>> CA :: 61.133 CB :: 30.257 CG :: 27.131 CD :: 49.864 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.610 HB2 :: 1.593 HB3 :: 2.443 HG2 :: 1.520 HG3 :: 1.628 HD2 :: 3.072 HD3 :: 3.144 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.P55 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.76 C 0.23 C Shift Assignments>> CA :: 63.522 CB :: 32.142 CG :: 28.085 CD :: 50.468 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.409 HB2 :: 1.791 HB3 :: 1.919 HG2 :: 2.058 HG3 :: 2.147 HD2 :: 3.835 HD3 :: 3.587 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.E56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.42 E 0.3 I 0.21 K 0.02 M 0.01 Q 0.01 C Shift Assignments>> CA :: 60.107 CB :: 29.915 CG :: 36.681 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 8.875 HA :: 3.979 HB2 :: 2.103 HB3 :: 2.063 HG2 :: 2.438 HG3 :: 2.400 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 124.333 Ave N Shift Values>> N :: 120.67(3.48) 1.E57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.36 C 0.31 K 0.13 Q 0.08 I 0.07 M 0.01 C Shift Assignments>> CA :: 57.218 CB :: 28.785 CG :: 36.063 Ave C Shift Values>> C :: 176.87(1.95) CA :: 57.32(2.09) CB :: 30.01(1.72) CG :: 36.11(1.19) CD :: 182.4(1.78) H Shift Assignments>> H :: 9.274 HA :: 4.246 HB2 :: 2.053 HB3 :: 2.138 HG2 :: 2.352 HG3 :: 2.240 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) N Shift Assignments>> N :: 115.045 Ave N Shift Values>> N :: 120.67(3.48) 1.M58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.47 C 0.34 A 0.17 C Shift Assignments>> CA :: 55.476 CB :: 34.398 CG :: 31.927 CE :: 17.562 Ave C Shift Values>> C :: 176.18(2.09) CA :: 56.11(2.23) CB :: 32.99(2.24) CG :: 32.01(1.24) CE :: 17.07(1.58) H Shift Assignments>> H :: 7.652 HA :: 4.467 HB2 :: 2.018 HB3 :: 2.119 HG2 :: 2.694 HG3 :: 2.694 HE1 :: 2.176 HE2 :: 2.176 HE3 :: 2.176 Ave H Shift Values>> H :: 8.26(0.6) HA :: 4.41(0.48) HB2 :: 2.03(0.34) HB3 :: 1.99(0.34) HG2 :: 2.42(0.35) HG3 :: 2.39(0.38) HE :: 1.89(0.46) N Shift Assignments>> N :: 121.171 Ave N Shift Values>> N :: 120.09(3.57) 1.Q59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.31 M 0.29 E 0.25 Q 0.11 K 0.01 C Shift Assignments>> CA :: 56.175 CB :: 31.566 CG :: 35.306 Ave C Shift Values>> C :: 176.31(1.95) CA :: 56.57(2.14) CB :: 29.19(1.82) CG :: 33.76(1.11) CD :: 179.69(1.29) H Shift Assignments>> H :: 8.639 HA :: 4.379 HB2 :: 1.913 HB3 :: 1.729 HG2 :: 2.438 HG3 :: 2.239 HE21 :: 7.009 HE22 :: 7.686 Ave H Shift Values>> H :: 8.22(0.59) HA :: 4.27(0.44) HB2 :: 2.05(0.25) HB3 :: 2.02(0.28) HG2 :: 2.32(0.27) HG3 :: 2.29(0.29) HE21 :: 7.24(0.45) HE22 :: 7.02(0.44) N Shift Assignments>> N :: 125.432 NE2 :: 112.318 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.W60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> CA :: 59.224 CB :: 31.779 CD1 :: 126.588 CZ2 :: 114.079 CZ3 :: 120.524 CH2 :: 123.004 Ave C Shift Values>> C :: 176.12(2.01) CA :: 57.66(2.58) CB :: 30.01(2.01) CG :: 110.59(1.88) CD1 :: 126.51(1.83) CD2 :: 127.57(1.55) CE2 :: 138.31(6.98) CE3 :: 120.43(1.79) CZ2 :: 114.26(1.12) CZ3 :: 121.35(1.53) CH2 :: 123.86(1.42) H Shift Assignments>> H :: 8.835 HA :: 4.360 HB2 :: 2.578 HB3 :: 3.174 HD1 :: 7.134 HE1 :: 10.018 HE3 :: 7.208 HZ2 :: 6.942 HZ3 :: 6.575 HH2 :: 6.177 Ave H Shift Values>> H :: 8.29(0.79) HA :: 4.68(0.53) HB2 :: 3.19(0.35) HB3 :: 3.12(0.36) HD1 :: 7.14(0.36) HE1 :: 10.08(0.66) HE3 :: 7.31(0.41) HZ2 :: 7.28(0.33) HZ3 :: 6.86(0.4) HH2 :: 6.98(0.39) N Shift Assignments>> N :: 123.018 NE1 :: 128.762 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.44 Y 0.41 C 0.13 C Shift Assignments>> CA :: 54.344 CB :: 41.441 CD1 :: 132.506 CE1 :: 131.478 CZ :: 130.092 Ave C Shift Values>> C :: 175.42(1.99) CA :: 58.08(2.57) CB :: 39.99(2.09) CG :: 138.41(2.04) CD1 :: 131.58(1.18) CD2 :: 131.63(1.12) CE1 :: 130.71(1.3) CE2 :: 130.76(1.13) CZ :: 129.21(1.43) H Shift Assignments>> H :: 6.682 HA :: 5.256 HB2 :: 2.544 HB3 :: 2.223 HD1 :: 7.027 HD2 :: 7.027 HE1 :: 7.073 HE2 :: 7.073 HZ :: 7.145 Ave H Shift Values>> H :: 8.36(0.72) HA :: 4.63(0.57) HB2 :: 3(0.37) HB3 :: 2.93(0.4) HD1 :: 7.06(0.31) HD2 :: 7.06(0.31) HE1 :: 7.08(0.31) HE2 :: 7.08(0.32) HZ :: 7(0.42) N Shift Assignments>> N :: 122.772 Ave N Shift Values>> N :: 120.45(4.18) 1.C62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.14 E 0.14 W 0.14 R 0.14 Q 0.13 C 0.12 K 0.08 M 0.06 I 0.01 C Shift Assignments>> CA :: 56.878 CB :: 30.083 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.324 HA :: 3.684 HB2 :: 3.168 HB3 :: 2.508 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 126.131 Ave N Shift Values>> N :: 120.17(4.64) 1.P63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.84 C 0.15 C Shift Assignments>> CA :: 65.651 CB :: 32.110 CG :: 27.937 CD :: 49.581 Ave C Shift Values>> C :: 176.75(1.51) CA :: 63.33(1.52) CB :: 31.85(1.18) CG :: 27.17(1.09) CD :: 50.32(0.99) H Shift Assignments>> HA :: 4.130 HB2 :: 1.916 HB3 :: 2.406 HG2 :: 1.997 HG3 :: 2.121 HD2 :: 3.334 HD3 :: 3.334 Ave H Shift Values>> HA :: 4.4(0.33) HB2 :: 2.08(0.35) HB3 :: 2(0.36) HG2 :: 1.93(0.31) HG3 :: 1.9(0.33) HD2 :: 3.65(0.35) HD3 :: 3.61(0.39) 1.K64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.44 K 0.42 R 0.12 G 0.01 C Shift Assignments>> CA :: 59.235 CB :: 32.955 CG :: 25.244 CD :: 29.328 CE :: 42.328 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.014 HA :: 4.204 HB2 :: 1.980 HB3 :: 2.019 HG2 :: 1.438 HG3 :: 1.627 HD2 :: 1.892 HD3 :: 1.801 HE2 :: 3.123 HE3 :: 3.123 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 116.992 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.C65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> P 0.27 V 0.25 C 0.19 I 0.19 W 0.05 C Shift Assignments>> CA :: 63.591 CB :: 30.180 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 8.484 HA :: 3.946 HB2 :: 3.041 HB3 :: 2.843 Ave H Shift Values>> H :: 8.39(0.67) HA :: 4.66(0.55) HB2 :: 2.96(0.44) HB3 :: 2.89(0.46) HG :: 1.98(1.38) N Shift Assignments>> N :: 124.981 Ave N Shift Values>> N :: 120.17(4.64) 1.A66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.51 M 0.43 C 0.02 I 0.01 C Shift Assignments>> CA :: 54.561 CB :: 18.253 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.963 HA :: 3.774 HB1 :: 1.198 HB2 :: 1.198 HB3 :: 1.198 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.615 Ave N Shift Values>> N :: 123.23(3.54) 1.N67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.18 Y 0.1 C 0.1 F 0.1 L 0.06 C Shift Assignments>> CA :: 53.914 CB :: 38.898 Ave C Shift Values>> C :: 175.27(1.79) CA :: 53.54(1.88) CB :: 38.69(1.69) CG :: 176.76(1.38) H Shift Assignments>> H :: 7.548 HA :: 4.619 HB2 :: 2.736 HB3 :: 2.846 HD21 :: 7.684 HD22 :: 6.942 Ave H Shift Values>> H :: 8.34(0.63) HA :: 4.67(0.36) HB2 :: 2.81(0.31) HB3 :: 2.75(0.33) HD21 :: 7.35(0.48) HD22 :: 7.14(0.49) N Shift Assignments>> N :: 113.615 ND2 :: 113.279 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.44 C 0.43 R 0.11 C Shift Assignments>> CA :: 57.664 CB :: 32.850 CG :: 25.044 CD :: 29.632 CE :: 42.065 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 7.409 HA :: 4.122 HB2 :: 1.768 HG2 :: 1.509 HG3 :: 1.382 HD2 :: 1.690 HD3 :: 1.690 HE2 :: 2.950 HE3 :: 2.950 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 119.849 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.I69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.71 C 0.28 C Shift Assignments>> CA :: 62.008 CB :: 38.142 CG1 :: 27.732 CG2 :: 17.360 CD1 :: 12.623 Ave C Shift Values>> C :: 175.85(1.92) CA :: 61.61(2.68) CB :: 38.63(2.02) CG1 :: 27.71(1.68) CG2 :: 17.53(1.36) CD1 :: 13.43(1.67) H Shift Assignments>> H :: 7.875 HA :: 3.927 HB :: 1.748 HG12 :: 1.375 HG13 :: 1.056 HG21 :: 0.795 HG22 :: 0.795 HG23 :: 0.795 HD11 :: 0.598 HD12 :: 0.598 HD13 :: 0.598 Ave H Shift Values>> H :: 8.28(0.68) HA :: 4.18(0.56) HB :: 1.78(0.29) HG2 :: 0.77(0.27) HG12 :: 1.28(0.4) HG13 :: 1.19(0.41) HD1 :: 0.68(0.29) N Shift Assignments>> N :: 120.178 Ave N Shift Values>> N :: 121.46(4.28) 1.K70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.03 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.513 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.101 HA :: 4.249 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 124.139 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.1 Q 0.1 H 0.1 K 0.09 M 0.08 E 0.08 W 0.07 C 0.06 L 0.06 F 0.06 Y 0.05 D 0.03 S 0.03 N 0.01 HN Overlap>> 1.W45 1.R11 1.W45 1.R11 C Shift Assignments>> CA :: 56.679 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.268 HA :: 4.274 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.141 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.D72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.23 K 0.12 F 0.09 N 0.09 Y 0.07 C 0.05 R 0.01 C Shift Assignments>> CA :: 54.455 CB :: 41.227 Ave C Shift Values>> C :: 176.4(1.75) CA :: 54.69(2.03) CB :: 40.88(1.62) CG :: 179.17(1.79) H Shift Assignments>> H :: 8.379 HA :: 4.582 HB2 :: 2.640 HB3 :: 2.699 Ave H Shift Values>> H :: 8.31(0.58) HA :: 4.59(0.32) HB2 :: 2.72(0.26) HB3 :: 2.66(0.28) HD2 :: 5.25(0.58) N Shift Assignments>> N :: 120.935 Ave N Shift Values>> N :: 120.65(3.86) 1.K73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.1 H 0.1 Q 0.1 R 0.09 K 0.08 L 0.08 E 0.07 W 0.06 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.02 N 0.01 A 0.01 C Shift Assignments>> CA :: 56.276 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.218 HA :: 4.306 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 121.230 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.1 Q 0.1 R 0.09 M 0.09 K 0.09 E 0.07 L 0.07 W 0.07 C 0.06 F 0.05 Y 0.05 D 0.04 S 0.03 N 0.01 C Shift Assignments>> CA :: 56.493 Ave C Shift Values>> C :: 176.64(2) CA :: 56.95(2.2) CB :: 32.79(1.78) CG :: 24.89(1.13) CD :: 28.96(1.08) CE :: 41.89(0.82) H Shift Assignments>> H :: 8.374 HA :: 4.281 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) N Shift Assignments>> N :: 122.875 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.H75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.48 H 0.47 Y 0.03 C Shift Assignments>> CA :: 57.102 CD2 :: 120.447 CE1 :: 137.000 Ave C Shift Values>> C :: 175.25(1.97) CA :: 56.52(2.31) CB :: 30.24(2.07) CG :: 131.52(3.27) CD2 :: 120.49(3.42) CE1 :: 137.71(2.12) H Shift Assignments>> H :: 8.072 HA :: 4.473 HD2 :: 7.205 HE1 :: 8.406 Ave H Shift Values>> H :: 8.24(0.68) HA :: 4.61(0.43) HB2 :: 3.1(0.36) HB3 :: 3.04(0.38) HD1 :: 8.68(2.62) HD2 :: 7(0.43) HE1 :: 7.95(0.48) HE2 :: 9.64(2.6) N Shift Assignments>> N :: 124.874 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 2.M3L4 Overall Status: Residue type M3L not supported. 2.A1 Overall: Suspicious Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Suspicious N Shifts: Indeterminable H Shift Assignments>> H :: 10.507(S) HA :: 4.340 HB1 :: 1.475 HB2 :: 1.475 HB3 :: 1.475 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.R2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.429 HA :: 4.736 HB2 :: 1.791 HB3 :: 1.762 HG2 :: 1.837 HG3 :: 1.837 HD2 :: 3.366 HD3 :: 3.323 HE :: 6.948 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.T3 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.431 HA :: 5.786 HB :: 4.701 HG21 :: 1.229 HG22 :: 1.229 HG23 :: 1.229 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 2.E5 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.150 HA :: 4.065 HB2 :: 1.835 HB3 :: 1.685 HG2 :: 1.976 HG3 :: 1.900 Ave H Shift Values>> H :: 8.33(0.59) HA :: 4.25(0.41) HB2 :: 2.02(0.21) HB3 :: 1.99(0.23) HG2 :: 2.27(0.21) HG3 :: 2.25(0.22) 2.T6 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 9.235 HA :: 4.205 HB :: 4.120 HG21 :: 1.171 HG22 :: 1.171 HG23 :: 1.171 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 2.A7 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.473 HA :: 4.332 HB1 :: 1.384 HB2 :: 1.384 HB3 :: 1.384 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) 2.R8 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.403 HA :: 4.319 HB2 :: 1.708 HB3 :: 1.823 HG2 :: 1.606 HG3 :: 1.606 HD2 :: 3.133 HD3 :: 3.133 Ave H Shift Values>> H :: 8.24(0.61) HA :: 4.3(0.46) HB2 :: 1.79(0.27) HB3 :: 1.76(0.28) HG2 :: 1.57(0.27) HG3 :: 1.54(0.29) HD2 :: 3.12(0.24) HD3 :: 3.1(0.26) HE :: 7.4(0.63) HH11 :: 6.91(0.46) HH12 :: 6.8(0.33) HH21 :: 6.81(0.48) HH22 :: 6.76(0.36) 2.K9 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.483 HB2 :: 1.700 HB3 :: 1.818 HG2 :: 1.381 HG3 :: 1.381 HD2 :: 1.615 HD3 :: 1.615 HE2 :: 2.924 HE3 :: 2.924 Ave H Shift Values>> H :: 8.19(0.6) HA :: 4.27(0.44) HB2 :: 1.78(0.25) HB3 :: 1.74(0.27) HG2 :: 1.37(0.26) HG3 :: 1.35(0.28) HD2 :: 1.61(0.22) HD3 :: 1.6(0.22) HE2 :: 2.92(0.19) HE3 :: 2.91(0.2) HZ :: 7.42(0.67) 2.S10 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.514 HA :: 4.516 HB2 :: 3.857 HB3 :: 3.907 Ave H Shift Values>> H :: 8.28(0.59) HA :: 4.48(0.4) HB2 :: 3.88(0.25) HB3 :: 3.85(0.27) HG :: 5.36(1.03) 2.T11 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.272 HA :: 4.394 HB :: 4.312 HG21 :: 1.219 HG22 :: 1.219 HG23 :: 1.219 Ave H Shift Values>> H :: 8.24(0.62) HA :: 4.46(0.48) HB :: 4.17(0.33) HG1 :: 4.92(1.58) HG2 :: 1.14(0.23) HG21 :: 1.14(0.23) HG22 :: 1.14(0.23) HG23 :: 1.14(0.23) 2.G12 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Consistent N Shifts: Indeterminable H Shift Assignments>> H :: 8.417 HA2 :: 3.965 HA3 :: 3.923 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) 3.ZN1 Overall Status: Residue type ZN not supported. 4.SRO1 Overall Status: Residue type SRO not supported. ########################################################################### Overall Results: #Consistent: 74 #Clerical: 0 #Suspicious: 11 #Anomalous: 0 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 74 #Suspicious: 0 #Mistyped: 1 #Indeterminable: 11 Shift Relative Order (SRO) Results: #Consistent: 86 #Suspicious: 0 C Shift Results: #Consistent: 226 #Duplicate: 0 #Unknown: 0 #Suspicious: 2 #Anomalous: 0 H Shift Results: #Consistent: 498 #Duplicate: 0 #Unknown: 0 #Suspicious: 20 #Anomalous: 0 N Shift Results: #Consistent: 74 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.E13 HG2 = 1.209(S), Expected = 2.27, Std = 0.2100, ChiSquare = 4.3634e-07 1.E13 HG3 = 1.209(S), Expected = 2.25, Std = 0.2200, ChiSquare = 2.2252e-06 1.N16 HD22 = 8.898(S), Expected = 7.14, Std = 0.4900, ChiSquare = 3.3354e-04 1.P22 HD2 = 1.530(S), Expected = 3.65, Std = 0.3500, ChiSquare = 1.3856e-09 1.P32 HB2 = 0.184(S), Expected = 2.08, Std = 0.3500, ChiSquare = 6.0559e-08 1.P32 HB3 = -0.384(S), Expected = 2.00, Std = 0.3600, ChiSquare = 3.5384e-11 1.P32 HG2 = 0.836(S), Expected = 1.93, Std = 0.3100, ChiSquare = 4.1708e-04 1.M33 Typing: Mistyped 1.M33 CB = 42.077(S), Expected = 32.99, Std = 2.2400, ChiSquare = 4.9772e-05 1.I34 CG2 = 12.604(S), Expected = 17.53, Std = 1.3600, ChiSquare = 2.9227e-04 1.I34 HG21 = -0.298(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6357e-05 1.I34 HG22 = -0.298(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6357e-05 1.I34 HG23 = -0.298(S), Expected = 0.77, Std = 0.2700, ChiSquare = 7.6357e-05 1.I34 HD11 = -0.407(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.7805e-04 1.I34 HD12 = -0.407(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.7805e-04 1.I34 HD13 = -0.407(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.7805e-04 1.G35 HA3 = 1.039(S), Expected = 3.90, Std = 0.3700, ChiSquare = 1.0551e-14 1.D38 HB3 = 3.821(S), Expected = 2.66, Std = 0.2800, ChiSquare = 3.3770e-05 1.H44 HB2 = 4.386(S), Expected = 3.10, Std = 0.3600, ChiSquare = 3.5396e-04 1.W45 NE1 = 121.688(S), Expected = 129.32, Std = 2.1100, ChiSquare = 2.9797e-04 1.I50 HG21 = -0.171(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9180e-04 1.I50 HG22 = -0.171(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9180e-04 1.I50 HG23 = -0.171(S), Expected = 0.77, Std = 0.2700, ChiSquare = 4.9180e-04 2.A1 H = 10.507(S), Expected = 8.20, Std = 0.6000, ChiSquare = 1.2055e-04