Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.M1 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.A2 Overall: Consistent Typing: Indeterminable SRO: Consistent C Shifts: Indeterminable H Shifts: Indeterminable N Shifts: Indeterminable 1.K3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> K 0.47 C 0.38 R 0.12 C Shift Assignments>> C :: 176.761 CA :: 56.166 CB :: 32.921 CG :: 24.497 CD :: 28.923 CE :: 42.008 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>> HA :: 4.255 HB2 :: 1.663 HB3 :: 1.663 HG2 :: 1.315 HG3 :: 1.315 HD2 :: 1.581 HD3 :: 1.581 HE2 :: 2.858 HE3 :: 2.858 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) 1.T4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.91 C 0.08 C Shift Assignments>> C :: 174.445 CA :: 61.824 CB :: 69.807 CG2 :: 20.89 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.043 HA :: 4.199 HB :: 4.098 HG21 :: 1.065 HG22 :: 1.065 HG23 :: 1.065 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) N Shift Assignments>> N :: 115.699 Ave N Shift Values>> N :: 115.42(4.75) 1.E5 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.17 R 0.17 E 0.16 C 0.14 Q 0.14 M 0.08 K 0.07 C Shift Assignments>> CA :: 56.691 CB :: 30.322 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 :: 8.365 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 :: 122.834 Ave N Shift Values>> N :: 120.67(3.48) 1.E6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> E 0.38 C 0.31 K 0.08 Q 0.08 M 0.08 I 0.02 C Shift Assignments>> C :: 176.289 CA :: 56.606 CB :: 30.039 CG :: 36.024 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>> HA :: 4.142 HB2 :: 1.889 HB3 :: 1.803 HG2 :: 2.123 HG3 :: 2.123 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) 1.M7 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.45 C 0.32 Q 0.17 K 0.02 E 0.01 C Shift Assignments>> C :: 175.865 CA :: 55.494 CB :: 32.804 CG :: 31.814 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 :: 8.192 HA :: 4.331 HB2 :: 1.906 HB3 :: 1.906 HG2 :: 2.418 HG3 :: 2.418 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 :: 121.252 Ave N Shift Values>> N :: 120.09(3.57) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 175.865 CA :: 62.334 CB :: 32.656 CG1 :: 20.655 CG2 :: 20.655 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 :: 8.025 HA :: 3.964 HB :: 1.91 HG11 :: 0.789 HG12 :: 0.789 HG13 :: 0.789 HG21 :: 0.789 HG22 :: 0.789 HG23 :: 0.789 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 :: 121.972 Ave N Shift Values>> N :: 121.14(4.54) 1.Q9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.29 C 0.23 M 0.06 R 0.04 E 0.04 C Shift Assignments>> C :: 175.88 CA :: 55.692 CB :: 29.142 CG :: 33.579 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 :: 8.381 HA :: 4.309 HB2 :: 1.988 HB3 :: 1.869 HG2 :: 2.238 HG3 :: 2.238 HE21 :: 7.449 HE22 :: 6.703 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 :: 124.488 NE2 :: 112.477 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.T10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.9 C 0.09 C Shift Assignments>> C :: 174.606 CA :: 61.837 CB :: 69.799 CG2 :: 21.236 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.104 HA :: 4.126 HB :: 4.007 HG21 :: 1.074 HG22 :: 1.074 HG23 :: 1.074 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) N Shift Assignments>> N :: 116.129 Ave N Shift Values>> N :: 115.42(4.75) 1.E11 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.09 Q 0.08 K 0.08 I 0.02 C Shift Assignments>> C :: 176.286 CA :: 56.66 CB :: 30.097 CG :: 36.011 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 :: 8.407 HA :: 4.167 HB2 :: 1.922 HB3 :: 1.807 HG2 :: 2.126 HG3 :: 2.126 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 :: 122.539 Ave N Shift Values>> N :: 120.67(3.48) 1.E12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 K 0.13 Q 0.09 I 0.04 M 0.01 C Shift Assignments>> C :: 176.789 CA :: 56.046 CB :: 28.731 CG :: 36.107 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 :: 8.305 HA :: 4.447 HB2 :: 1.954 HB3 :: 1.954 HG2 :: 2.13 HG3 :: 2.13 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 :: 121.775 Ave N Shift Values>> N :: 120.67(3.48) 1.M13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.43 M 0.43 Q 0.1 E 0.02 C Shift Assignments>> C :: 177.404 CA :: 56.334 CB :: 33.51 CG :: 33.12 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 :: 8.475 HA :: 4.091 HB2 :: 1.965 HB3 :: 1.793 HG2 :: 2.866 HG3 :: 2.253 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 :: 122.658 Ave N Shift Values>> N :: 120.09(3.57) 1.E14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.3 K 0.13 Q 0.09 I 0.05 M 0.01 C Shift Assignments>> C :: 176.047 CA :: 56.45 CB :: 28.799 CG :: 36.076 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 :: 8.744 HA :: 4.188 HB2 :: 2.04 HB3 :: 1.869 HG2 :: 2.129 HG3 :: 2.129 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 :: 115.269 Ave N Shift Values>> N :: 120.67(3.48) 1.T15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 61.958 CB :: 70.396 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.149 HA :: 4.147 HB :: 3.82 HG21 :: 1.224 HG22 :: 1.224 HG23 :: 1.224 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) N Shift Assignments>> N :: 117.84 Ave N Shift Values>> N :: 115.42(4.75) 1.P16 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.74 C 0.25 C Shift Assignments>> C :: 175.211 CA :: 63.383 CB :: 32.25 CG :: 27.595 CD :: 51.206 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 :: 4.341 HB2 :: 2.226 HB3 :: 1.704 HG2 :: 1.938 HG3 :: 1.938 HD2 :: 3.54 HD3 :: 3.74 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.R17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 R 0.36 G 0.13 K 0.12 C Shift Assignments>> C :: 174.633 CA :: 54.493 CB :: 32.701 CG :: 26.027 CD :: 43.556 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 :: 7.806 HA :: 4.757 HB2 :: 1.537 HB3 :: 1.405 HG2 :: 1.429 HG3 :: 1.429 HD2 :: 2.962 HD3 :: 2.962 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 :: 117.786 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.L18 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> G 0.43 L 0.33 C 0.21 A 0.01 C Shift Assignments>> C :: 175.068 CA :: 54.158 CB :: 46.096 CG :: 26.422 CD1 :: 24.13 CD2 :: 24.13 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.313 HA :: 4.694 HB2 :: 1.331 HB3 :: 1.115 HG :: 0.389(S) HD11 :: 0.528 HD12 :: 0.528 HD13 :: 0.528 HD21 :: 0.528 HD22 :: 0.528 HD23 :: 0.528 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.939 Ave N Shift Values>> N :: 121.86(3.9) 1.S19 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.682 CA :: 57.384 CB :: 63.228 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.804 HA :: 5.12 HB2 :: 3.628 HB3 :: 3.628 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 :: 122.894 Ave N Shift Values>> N :: 116.28(3.52) 1.V20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.61 V 0.38 C Shift Assignments>> C :: 173.802 CA :: 60.293 CB :: 35.761 CG1 :: 21.385 CG2 :: 22.01 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 :: 8.698 HA :: 4.522 HB :: 1.559 HG11 :: 0.496 HG12 :: 0.496 HG13 :: 0.496 HG21 :: 0.604 HG22 :: 0.604 HG23 :: 0.604 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 :: 124.91 Ave N Shift Values>> N :: 121.14(4.54) 1.I21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.61 C 0.38 C Shift Assignments>> C :: 175.537 CA :: 60.02 CB :: 38.721 CG1 :: 27.538 CG2 :: 17.289 CD1 :: 13.156 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 :: 8.815 HA :: 4.704 HB :: 1.683 HG12 :: 1.32 HG13 :: 0.992 HG21 :: 0.645 HG22 :: 0.645 HG23 :: 0.645 HD11 :: 0.625 HD12 :: 0.625 HD13 :: 0.625 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 :: 126.729 Ave N Shift Values>> N :: 121.46(4.28) 1.V22 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.47 C Shift Assignments>> C :: 175.917 CA :: 59.812 CB :: 34.088 CG1 :: 22.072 CG2 :: 20.824 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 :: 9.181 HA :: 5.304 HB :: 1.805 HG11 :: 0.61 HG12 :: 0.61 HG13 :: 0.61 HG21 :: 0.665 HG22 :: 0.665 HG23 :: 0.665 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 :: 128.335 Ave N Shift Values>> N :: 121.14(4.54) 1.T23 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> C :: 173.213 CA :: 59.759 CB :: 70.048 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.688 HA :: 5.255 HB :: 4.175 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 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) N Shift Assignments>> N :: 119.251 Ave N Shift Values>> N :: 115.42(4.75) 1.H24 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.17 K 0.17 Q 0.16 H 0.09 R 0.09 E 0.02 C Shift Assignments>> C :: 174.308 CA :: 54.315 CB :: 33 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 :: 8.676 HA :: 5.189 HB2 :: 3.247 HB3 :: 2.734 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 :: 123.934 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.S25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.189 CA :: 59.295 CB :: 61.066 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.386 HA :: 3.692 HB2 :: 3.91 HB3 :: 3.447 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 :: 124.015 Ave N Shift Values>> N :: 116.28(3.52) 1.N26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.41 D 0.14 C 0.12 Y 0.11 F 0.1 L 0.04 E 0.01 M 0.01 C Shift Assignments>> CA :: 54.16 CB :: 38.496 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 :: 8.425 HA :: 4.55 HB2 :: 2.839 HB3 :: 2.765 HD21 :: 7.5 HD22 :: 6.82 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 :: 118.603 ND2 :: 113.725 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.33 M 0.31 E 0.27 Q 0.06 C Shift Assignments>> C :: 174.793 CA :: 55.489 CB :: 31.876 CG :: 35.73 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>> HA :: 4.347 HB2 :: 2.146 HB3 :: 1.764 HG2 :: 2.188 HG3 :: 2.188 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) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.45 C 0.36 G 0.09 K 0.08 C Shift Assignments>> C :: 175.598 CA :: 54.858 CB :: 32.817 CG :: 27.213 CD :: 43.434 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 :: 8.137 HA :: 4.813 HB2 :: 1.432 HB3 :: 1.432 HG2 :: 1.198 HG3 :: 1.198 HD2 :: 2.902 HD3 :: 2.902 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 :: 122.85 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.Y29 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.25 Y 0.24 D 0.14 C 0.12 L 0.1 N 0.05 I 0.04 K 0.01 C Shift Assignments>> C :: 173.509 CA :: 56.778 CB :: 39.829 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 :: 9.199 HA :: 4.478 HB2 :: 2.601 HB3 :: 2.601 HD1 :: 6.937 HD2 :: 6.937 HE1 :: 6.661 HE2 :: 6.661 HH :: 9.225 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 :: 124.587 Ave N Shift Values>> N :: 120.52(4.2) 1.D30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.34 N 0.18 L 0.18 F 0.08 Y 0.06 C 0.06 K 0.04 C Shift Assignments>> C :: 174.903 CA :: 53.763 CB :: 40.709 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 :: 8.523 HA :: 4.873 HB2 :: 2.412 HB3 :: 2.412 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 :: 125.053 Ave N Shift Values>> N :: 120.65(3.86) 1.L31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.28 C 0.15 A 0.03 C Shift Assignments>> C :: 175.076 CA :: 53.564 CB :: 44.202 CG :: 26.38 CD1 :: 23.441 CD2 :: 23.441 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.693 HA :: 4.585 HB2 :: 1.563 HB3 :: 1.072 HG :: 0.471 HD11 :: 0.635 HD12 :: 0.635 HD13 :: 0.635 HD21 :: 0.635 HD22 :: 0.635 HD23 :: 0.635 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.495 Ave N Shift Values>> N :: 121.86(3.9) 1.L32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.76 C 0.18 R 0.01 G 0.01 A 0.01 C Shift Assignments>> C :: 174.764 CA :: 53.412 CB :: 42.304 CG :: 27.046 CD1 :: 24.737 CD2 :: 24.066 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.284 HA :: 4.662 HB2 :: 1.477 HB3 :: 1.284 HG :: 1.197 HD11 :: 0.645 HD12 :: 0.645 HD13 :: 0.645 HD21 :: 0.645 HD22 :: 0.645 HD23 :: 0.645 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.239 Ave N Shift Values>> N :: 121.86(3.9) 1.V33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.66 C 0.33 C Shift Assignments>> C :: 174.897 CA :: 62.535 CB :: 31.986 CG1 :: 22.723 CG2 :: 21.725 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 :: 9.163 HA :: 3.79 HB :: 1.894 HG11 :: 0.662 HG12 :: 0.662 HG13 :: 0.662 HG21 :: 0.662 HG22 :: 0.662 HG23 :: 0.662 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 :: 125.983 Ave N Shift Values>> N :: 121.14(4.54) 1.T34 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 57.998 CB :: 69.742 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.453 HA :: 4.741 HB :: 4.068 HG21 :: 0.965 HG22 :: 0.965 HG23 :: 0.965 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) N Shift Assignments>> N :: 118.255 Ave N Shift Values>> N :: 115.42(4.75) 1.P35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.64 C 0.35 C Shift Assignments>> C :: 177.564 CA :: 62.091 CB :: 31.905 CG :: 27.573 CD :: 50.55 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 :: 4.423 HB2 :: 1.793 HB3 :: 1.632 HG2 :: 1.364 HG3 :: 1.364 HD2 :: 3.533 HD3 :: 3.533 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.Q36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.31 K 0.23 C 0.23 M 0.13 E 0.05 R 0.01 C Shift Assignments>> C :: 176.28 CA :: 55.575 CB :: 29.903 CG :: 33.649 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 :: 8.65 HA :: 4.14 HB2 :: 2.074 HB3 :: 1.898 HG2 :: 2.353 HG3 :: 2.353 HE21 :: 7.57 HE22 :: 6.68 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 :: 122.588 NE2 :: 114.27 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.Q37 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.28 K 0.27 C 0.24 R 0.11 M 0.04 E 0.02 C Shift Assignments>> C :: 176.509 CA :: 56.23 CB :: 28.377 CG :: 33.314 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 :: 8.414 HA :: 4.152 HB2 :: 2.022 HB3 :: 1.878 HG2 :: 2.227 HG3 :: 2.227 HE21 :: 7.497 HE22 :: 6.703 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 :: 119.286 NE2 :: 112.329 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G38 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 L 0.1 C 0.02 R 0.01 F 0.01 C Shift Assignments>> C :: 173.68 CA :: 45.265 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.497 HA2 :: 4.037 HA3 :: 3.545 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 111.075 Ave N Shift Values>> N :: 109.67(3.87) 1.N39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.16 C 0.08 F 0.04 Y 0.04 L 0.03 C Shift Assignments>> C :: 175.078 CA :: 52.091 CB :: 38.882 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 :: 8.186 HA :: 4.809 HB2 :: 2.811 HB3 :: 2.811 HD21 :: 7.664 HD22 :: 7.153 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 :: 117.987 ND2 :: 113.894 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.S40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.527 CA :: 59.446 CB :: 63.713 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.476 HA :: 4.241 HB2 :: 3.801 HB3 :: 3.801 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 :: 114.477 Ave N Shift Values>> N :: 116.28(3.52) 1.E41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.21 R 0.18 C 0.16 Q 0.13 M 0.13 E 0.09 K 0.06 C Shift Assignments>> CA :: 53.618 CB :: 30.511 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 :: 7.513 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 :: 115.94 Ave N Shift Values>> N :: 120.67(3.48) 1.P42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.65 C 0.34 C Shift Assignments>> C :: 176.652 CA :: 62.431 CB :: 32.78 CG :: 27.44 CD :: 50.611 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 :: 4.637 HB2 :: 1.593 HB3 :: 1.593 HG2 :: 1.758 HG3 :: 1.758 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.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.81 V 0.16 A 0.01 C Shift Assignments>> C :: 177.462 CA :: 58.955 CB :: 35.688 CG1 :: 20.502 CG2 :: 19.327 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 :: 9.756 HA :: 5.004 HB :: 2.016 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 0.667 HG22 :: 0.667 HG23 :: 0.667 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 :: 118.727 Ave N Shift Values>> N :: 121.14(4.54) 1.V44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.75 C 0.24 C Shift Assignments>> C :: 177.728 CA :: 68.321 CB :: 30.901 CG1 :: 24.646 CG2 :: 21.458 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 :: 7.912 HA :: 3.236 HB :: 2.202 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.716 HG22 :: 0.716 HG23 :: 0.716 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 :: 123.191 Ave N Shift Values>> N :: 121.14(4.54) 1.Q45 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.37 K 0.27 Q 0.19 R 0.07 M 0.03 E 0.01 I 0.01 C Shift Assignments>> C :: 177.239 CA :: 59.551 CB :: 28.771 CG :: 33.043 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 :: 9.095 HA :: 3.803 HB2 :: 2.038 HB3 :: 1.553 HG2 :: 2.204 HG3 :: 2.204 HE21 :: 7.267 HE22 :: 6.362 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 :: 118.831 NE2 :: 110.554 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D46 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.24 F 0.19 L 0.15 Y 0.14 C 0.08 D 0.07 R 0.06 I 0.03 C Shift Assignments>> C :: 178.938 CA :: 57.758 CB :: 41.714 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 :: 7.172 HA :: 4.25 HB2 :: 2.676 HB3 :: 2.601 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 :: 116.059 Ave N Shift Values>> N :: 120.65(3.86) 1.L47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.58 C 0.4 C Shift Assignments>> C :: 176.625 CA :: 57.616 CB :: 41.897 CG :: 26.725 CD1 :: 23.507 CD2 :: 23.507 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 6.941 HA :: 3.87 HB2 :: 2.125 HB3 :: 1.115 HD11 :: 0.585 HD12 :: 0.585 HD13 :: 0.585 HD21 :: 0.585 HD22 :: 0.585 HD23 :: 0.585 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 119.582 Ave N Shift Values>> N :: 121.86(3.9) 1.A48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.5 A 0.4 I 0.04 C 0.03 C Shift Assignments>> C :: 180.399 CA :: 55.336 CB :: 18.465 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.903 HA :: 3.915 HB1 :: 1.239 HB2 :: 1.239 HB3 :: 1.239 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.655 Ave N Shift Values>> N :: 123.23(3.54) 1.Q49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 Q 0.22 K 0.21 E 0.09 I 0.05 R 0.04 C Shift Assignments>> C :: 178.674 CA :: 59.251 CB :: 28.287 CG :: 34.265 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 :: 8.365 HA :: 3.907 HB2 :: 2.13 HB3 :: 2.018 HG2 :: 2.43 HG3 :: 2.333 HE21 :: 7.43 HE22 :: 6.702 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 :: 118.193 NE2 :: 111.56 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.L50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.61 C 0.37 C Shift Assignments>> C :: 179.866 CA :: 57.568 CB :: 42.041 CG :: 26.378 CD1 :: 24.183 CD2 :: 24.183 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.378 HA :: 4.088 HB2 :: 1.793 HB3 :: 1.488 HG :: 0.951 HD11 :: 0.9 HD12 :: 0.9 HD13 :: 0.9 HD21 :: 0.9 HD22 :: 0.9 HD23 :: 0.9 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 120.819 Ave N Shift Values>> N :: 121.86(3.9) 1.V51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.87 V 0.12 C Shift Assignments>> C :: 179.309 CA :: 66.796 CB :: 30.783 CG1 :: 25.329 CG2 :: 24.092 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 :: 8.732 HA :: 3.137 HB :: 2.186 HG11 :: 0.704 HG12 :: 0.704 HG13 :: 0.704 HG21 :: 0.544 HG22 :: 0.544 HG23 :: 0.544 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 :: 120.307 Ave N Shift Values>> N :: 121.14(4.54) 1.E52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.35 E 0.29 I 0.2 K 0.08 Q 0.04 C Shift Assignments>> C :: 178.495 CA :: 59.521 CB :: 28.779 CG :: 36.089 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 :: 8.238 HA :: 3.749 HB2 :: 2.083 HB3 :: 1.734 HG2 :: 1.792 HG3 :: 1.792 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 :: 126.488 Ave N Shift Values>> N :: 120.67(3.48) 1.E53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.34 E 0.33 I 0.11 K 0.1 Q 0.07 M 0.02 C Shift Assignments>> C :: 177.883 CA :: 59.102 CB :: 29.454 CG :: 35.825 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 :: 7.445 HA :: 3.781 HB2 :: 1.985 HB3 :: 1.985 HG2 :: 2.298 HG3 :: 2.121 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 :: 119.393 Ave N Shift Values>> N :: 120.67(3.48) 1.A54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.67 M 0.25 C 0.03 L 0.01 I 0.01 C Shift Assignments>> C :: 178.674 CA :: 54.427 CB :: 19.209 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.957 HA :: 4.053 HB1 :: 1.064 HB2 :: 1.064 HB3 :: 1.064 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 118.178 Ave N Shift Values>> N :: 123.23(3.54) 1.T55 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.79 C 0.2 C Shift Assignments>> C :: 175.85 CA :: 62.176 CB :: 72.326 CG2 :: 20.094 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 7.804 HA :: 4.047 HB :: 3.688 HG21 :: 0.235(S) HG22 :: 0.235(S) HG23 :: 0.235(S) 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) N Shift Assignments>> N :: 102.754 Ave N Shift Values>> N :: 115.42(4.75) 1.G56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.86 L 0.08 C 0.02 C Shift Assignments>> C :: 173.86 CA :: 45.479 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.742 HA2 :: 4.074 HA3 :: 3.647 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.662 Ave N Shift Values>> N :: 109.67(3.87) 1.V57 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 V 0.45 M 0.01 C Shift Assignments>> CA :: 60.436 CB :: 31.135 CG1 :: 20.96 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 :: 7.575 HA :: 4.036 HB :: 1.539 HG11 :: 0.301 HG12 :: 0.301 HG13 :: 0.301 HG21 :: 0.587 HG22 :: 0.587 HG23 :: 0.587 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 :: 123.345 Ave N Shift Values>> N :: 121.14(4.54) 1.P58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.53 C 0.46 C Shift Assignments>> C :: 177.591 CA :: 62.293 CB :: 33.178 CG :: 27.669 CD :: 51.333 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 :: 4.299 HB2 :: 2.244 HB3 :: 1.639 HG2 :: 1.853 HG3 :: 1.853 HD2 :: 3.514 HD3 :: 3.514 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.L59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.38 F 0.22 Y 0.21 C 0.15 C Shift Assignments>> CA :: 61.163 CB :: 39.88 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.512 HA :: 3.702 HB2 :: 1.562 HB3 :: 1.501 HD11 :: 0.735 HD12 :: 0.735 HD13 :: 0.735 HD21 :: 0.655 HD22 :: 0.655 HD23 :: 0.655 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 122.788 Ave N Shift Values>> N :: 121.86(3.9) 1.P60 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 :: 176.755 CA :: 65.001 CB :: 30.858 CG :: 27.401 CD :: 50.212 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 :: 4.154 HB2 :: 1.99 HB3 :: 1.029 HG2 :: 1.632 HG3 :: 1.422 HD2 :: 3.558 HD3 :: 3.19 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.F61 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.2 F 0.19 D 0.17 N 0.16 C 0.12 L 0.08 I 0.02 C Shift Assignments>> C :: 175.077 CA :: 55.643 CB :: 39.22 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 :: 7.784 HA :: 4.677 HB2 :: 3.453 HB3 :: 2.57 HD1 :: 7.03 HD2 :: 7.03 HE1 :: 7.064 HE2 :: 7.064 HZ :: 7.015 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 :: 114.932 Ave N Shift Values>> N :: 120.45(4.18) 1.Q62 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> C 0.29 Q 0.26 M 0.21 K 0.19 E 0.01 R 0.01 C Shift Assignments>> C :: 176.936 CA :: 56.558 CB :: 30.436 CG :: 32.901 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 :: 7.127 HA :: 3.798 HB2 :: 1.9 HB3 :: 1.456 HG2 :: 2.499 HG3 :: 2.499 HE21 :: 6.765 HE22 :: 6.481 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 :: 118.186 NE2 :: 102.8(S) Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.43 R 0.07 C Shift Assignments>> C :: 174.115 CA :: 56.699 CB :: 33.16 CG :: 24.327 CD :: 29.217 CE :: 41.868 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>> HA :: 4.357 HB2 :: 1.664 HB3 :: 1.664 HG2 :: 1.217 HG3 :: 1.141 HD2 :: 1.498 HD3 :: 1.498 HE2 :: 2.788 HE3 :: 2.788 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 :: 122.25 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.53 G 0.28 C 0.16 A 0.02 HN Overlap>> 1.M90 1.M90 C Shift Assignments>> C :: 176.023 CA :: 53.035 CB :: 43.751 CG :: 24.979 CD1 :: 24.25 CD2 :: 24.25 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.693 HA :: 5.091 HB2 :: 1.8 HB3 :: 0.865 HG :: 1.504 HD11 :: 0.633 HD12 :: 0.633 HD13 :: 0.633 HD21 :: 0.633 HD22 :: 0.633 HD23 :: 0.633 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 125.928 Ave N Shift Values>> N :: 121.86(3.9) 1.I65 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.39 C Shift Assignments>> C :: 175.376 CA :: 59.532 CB :: 39.855 CG1 :: 26.955 CG2 :: 17.271 CD1 :: 12.651 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 :: 9.216 HA :: 4.713 HB :: 1.669 HG12 :: 1.269 HG13 :: 0.914 HD11 :: 0.562 HD12 :: 0.562 HD13 :: 0.562 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 :: 122.512 Ave N Shift Values>> N :: 121.46(4.28) 1.F66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.27 K 0.12 D 0.1 F 0.08 Y 0.05 C 0.05 G 0.02 C Shift Assignments>> C :: 174.148 CA :: 56.071 CB :: 42.916 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 :: 8.934 HA :: 5.108 HB2 :: 2.843 HB3 :: 2.843 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 :: 127.55 Ave N Shift Values>> N :: 120.45(4.18) 1.K67 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.5 K 0.38 R 0.1 C Shift Assignments>> C :: 176.46 CA :: 57.336 CB :: 29.847 CG :: 24.46 CD :: 29.543 CE :: 41.82 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 :: 9.048 HA :: 3.426 HB2 :: 1.523 HB3 :: 1.059 HG2 :: 0.591 HG3 :: 0.095(S) HD2 :: 1.285 HD3 :: 1.285 HE2 :: 2.756 HE3 :: 2.756 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 :: 128.548 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G68 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 R 0.01 C Shift Assignments>> C :: 173.4 CA :: 45.38 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.056 HA2 :: 3.954 HA3 :: 3.33 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 102.622 Ave N Shift Values>> N :: 109.67(3.87) 1.K69 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.57 C 0.36 R 0.04 C Shift Assignments>> C :: 175.054 CA :: 54.594 CB :: 34.633 CG :: 24.441 CD :: 28.954 CE :: 42.023 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 :: 7.76 HA :: 4.537 HB2 :: 1.789 HB3 :: 1.789 HG2 :: 1.326 HG3 :: 1.326 HD2 :: 1.627 HD3 :: 1.627 HE2 :: 2.936 HE3 :: 2.936 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 :: 122.028 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.258 CA :: 57.77 CB :: 63.601 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.523 HA :: 4.803 HB2 :: 3.64 HB3 :: 3.64 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 :: 118.953 Ave N Shift Values>> N :: 116.28(3.52) 1.L71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.64 C 0.3 A 0.04 C Shift Assignments>> C :: 175.831 CA :: 54.135 CB :: 39.572 CG :: 25.548 CD1 :: 23.599 CD2 :: 23.599 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.716 HA :: 4.386 HB2 :: 1.741 HB3 :: 1.29 HG :: 1.481 HD11 :: 0.772 HD12 :: 0.772 HD13 :: 0.772 HD21 :: 0.626 HD22 :: 0.626 HD23 :: 0.626 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 127.098 Ave N Shift Values>> N :: 121.86(3.9) 1.K72 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.5 C 0.41 R 0.06 C Shift Assignments>> C :: 174.316 CA :: 56.193 CB :: 34.113 CG :: 24.233 CD :: 28.777 CE :: 41.941 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 :: 7.972 HA :: 4.278 HB2 :: 1.743 HB3 :: 1.587 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 :: 121.487 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.19 K 0.18 H 0.15 C 0.13 E 0.12 R 0.11 L 0.04 M 0.03 I 0.01 C Shift Assignments>> CA :: 55.762 CB :: 28.743 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 :: 8.197 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 :: 120.652 Ave N Shift Values>> N :: 120.67(3.48) 1.M74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> M 0.44 C 0.3 Q 0.2 K 0.03 E 0.01 C Shift Assignments>> C :: 175.879 CA :: 55.316 CB :: 33.051 CG :: 31.727 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>> HA :: 4.322 HB2 :: 1.886 HB3 :: 1.886 HG2 :: 2.428 HG3 :: 2.428 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) 1.E75 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.31 M 0.12 Q 0.08 K 0.07 I 0.01 C Shift Assignments>> C :: 176.175 CA :: 56.275 CB :: 30.348 CG :: 35.981 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 :: 8.299 HA :: 4.203 HB2 :: 1.843 HB3 :: 1.843 HG2 :: 2.119 HG3 :: 2.119 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 :: 122.36 Ave N Shift Values>> N :: 120.67(3.48) 1.T76 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 C Shift Assignments>> CA :: 59.951 CB :: 69.806 Ave C Shift Values>> C :: 174.54(1.76) CA :: 62.22(2.59) CB :: 69.73(1.63) CG2 :: 21.55(1.11) H Shift Assignments>> H :: 8.073 HA :: 4.453 HB :: 3.992 HG21 :: 1.143 HG22 :: 1.143 HG23 :: 1.143 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) N Shift Assignments>> N :: 118.318 Ave N Shift Values>> N :: 115.42(4.75) 1.P77 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.61 C 0.38 C Shift Assignments>> C :: 177.346 CA :: 62.617 CB :: 32.075 CG :: 27.992 CD :: 51.494 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 :: 4.667 HB2 :: 2.037 HB3 :: 1.715 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.L78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.9 V 0.03 A 0.03 L 0.01 C Shift Assignments>> C :: 180.001 CA :: 57.89 CB :: 37.891 CG :: 26.065 CD1 :: 21.246 CD2 :: 21.246 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.217 HA :: 3.709 HB2 :: 1.38 HG :: 1.237 HD11 :: 0.56 HD12 :: 0.56 HD13 :: 0.56 HD21 :: 0.56 HD22 :: 0.56 HD23 :: 0.56 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 123.464 Ave N Shift Values>> N :: 121.86(3.9) 1.S79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 178.179 CA :: 60.453 CB :: 61.355 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.991 HA :: 3.993 HB2 :: 3.781 HB3 :: 3.781 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 :: 114.101 Ave N Shift Values>> N :: 116.28(3.52) 1.A80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.56 M 0.4 C 0.01 I 0.01 C Shift Assignments>> C :: 178.869 CA :: 53.976 CB :: 17.903 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.092 HA :: 4.148 HB1 :: 1.411 HB2 :: 1.411 HB3 :: 1.411 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 126.21 Ave N Shift Values>> N :: 123.23(3.54) 1.L81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.26 A 0.07 G 0.06 C Shift Assignments>> C :: 176.946 CA :: 54.519 CB :: 42.986 CG :: 26.877 CD1 :: 22.744 CD2 :: 22.744 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 7.061 HA :: 4.255 HB2 :: 1.743 HB3 :: 1.562 HG :: 0.687 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 HD21 :: 0.842 HD22 :: 0.842 HD23 :: 0.842 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 116.652 Ave N Shift Values>> N :: 121.86(3.9) 1.G82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.79 L 0.12 C 0.03 R 0.02 F 0.01 C Shift Assignments>> C :: 175.09 CA :: 45.119 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.583 HA2 :: 4.192 HA3 :: 3.703 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.726 Ave N Shift Values>> N :: 109.67(3.87) 1.M83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.21 K 0.19 M 0.15 Q 0.11 R 0.1 H 0.09 E 0.06 V 0.05 C Shift Assignments>> C :: 173.821 CA :: 57.817 CB :: 32.666 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 :: 6.928 HA :: 3.83 HB2 :: 1.417 HB3 :: 1.233 HG2 :: 1.583 HE1 :: 1 HE2 :: 1 HE3 :: 1 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 :: 118.064 Ave N Shift Values>> N :: 120.09(3.57) 1.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.55 C 0.27 Q 0.14 E 0.01 C Shift Assignments>> C :: 174.281 CA :: 53.602 CB :: 32.113 CG :: 33.293 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 :: 7.307 HA :: 4.394 HB2 :: 2.084 HB3 :: 1.801 HG2 :: 2.167 HG3 :: 2.167 HE21 :: 7.372 HE22 :: 6.703 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 :: 119.813 NE2 :: 112.038 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.27 Y 0.17 F 0.15 C 0.14 D 0.13 L 0.05 E 0.02 I 0.01 M 0.01 C Shift Assignments>> C :: 177.437 CA :: 55.087 CB :: 38.58 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 :: 8.599 HA :: 4.758 HB2 :: 2.617 HB3 :: 2.617 HD21 :: 7.554 HD22 :: 7.117 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 :: 118.573 ND2 :: 114.329 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G86 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.73 L 0.15 R 0.03 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 173.928 CA :: 44.965 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.319 HA2 :: 4.042 HA3 :: 3.473 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.748 Ave N Shift Values>> N :: 109.67(3.87) 1.C87 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.18 Q 0.16 C 0.15 E 0.15 H 0.13 R 0.1 I 0.04 M 0.02 L 0.02 C Shift Assignments>> C :: 170.57 CA :: 57.437 CB :: 28.881 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 7.831 HA :: 4.594 HB2 :: 3.352 HB3 :: 3.256 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 :: 117.213 Ave N Shift Values>> N :: 120.17(4.64) 1.R88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.43 C 0.32 K 0.16 G 0.07 C Shift Assignments>> C :: 174.162 CA :: 54.802 CB :: 32.267 CG :: 27.918 CD :: 43.306 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 :: 8.276 HA :: 5.433 HB2 :: 1.71 HB3 :: 1.71 HG2 :: 1.647 HG3 :: 1.444 HD2 :: 3.082 HD3 :: 3.082 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 :: 118.39 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.V89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.68 V 0.31 C Shift Assignments>> C :: 173.979 CA :: 60.485 CB :: 35.759 CG1 :: 22.932 CG2 :: 22.03 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 :: 9.156 HA :: 4.575 HB :: 1.727 HG11 :: 0.734 HG12 :: 0.734 HG13 :: 0.734 HG21 :: 0.734 HG22 :: 0.734 HG23 :: 0.734 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 :: 124.286 Ave N Shift Values>> N :: 121.14(4.54) 1.M90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.2 R 0.16 H 0.16 C 0.16 K 0.14 E 0.07 Q 0.07 HN Overlap>> 1.L64 1.L64 C Shift Assignments>> C :: 173.99 CA :: 54.481 CB :: 31.752 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 :: 8.721 HA :: 4.991 HB2 :: 1.958 HB3 :: 1.958 HG2 :: 2.455 HG3 :: 2.354 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 :: 125.948 Ave N Shift Values>> N :: 120.09(3.57) 1.L91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.56 C 0.16 G 0.12 R 0.09 A 0.04 C Shift Assignments>> C :: 175.24 CA :: 53.256 CB :: 43.521 CG :: 27.485 CD1 :: 25.697 CD2 :: 23.314 Ave C Shift Values>> C :: 176.99(1.98) CA :: 55.62(2.13) CB :: 42.31(1.88) CG :: 26.78(1.1) CD1 :: 24.72(1.59) CD2 :: 24.05(1.7) H Shift Assignments>> H :: 8.856 HA :: 5.16 HB2 :: 1.631 HB3 :: 0.802 HG :: 0.53 Ave H Shift Values>> H :: 8.23(0.65) HA :: 4.32(0.47) HB2 :: 1.61(0.34) HB3 :: 1.52(0.36) HG :: 1.51(0.33) HD1 :: 0.75(0.28) HD2 :: 0.73(0.29) N Shift Assignments>> N :: 124.958 Ave N Shift Values>> N :: 121.86(3.9) 1.I92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.6 C 0.39 C Shift Assignments>> C :: 175.354 CA :: 60.04 CB :: 39.687 CG1 :: 27.599 CG2 :: 17.11 CD1 :: 12.823 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 :: 9.074 HA :: 4.426 HB :: 1.784 HG12 :: 1.391 HG13 :: 1.126 HD11 :: 0.842 HD12 :: 0.842 HD13 :: 0.842 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 :: 128.808 Ave N Shift Values>> N :: 121.46(4.28) 1.G93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.72 L 0.15 R 0.04 C 0.03 F 0.01 D 0.01 C Shift Assignments>> C :: 172.291 CA :: 44.943 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.596 HA2 :: 4.087 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 113.49 Ave N Shift Values>> N :: 109.67(3.87) 1.E94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.32 C 0.31 E 0.26 Q 0.08 K 0.01 C Shift Assignments>> C :: 175.517 CA :: 55.046 CB :: 31.623 CG :: 35.644 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 :: 8.27 HA :: 4.507 HB2 :: 1.961 HB3 :: 1.687 HG2 :: 2.119 HG3 :: 2.119 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 :: 120.522 Ave N Shift Values>> N :: 120.67(3.48) 1.K95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.48 C 0.43 R 0.07 C Shift Assignments>> C :: 176.173 CA :: 56.706 CB :: 33.098 CG :: 24.68 CD :: 29.264 CE :: 41.944 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 :: 8.469 HA :: 3.973 HB2 :: 1.672 HB3 :: 1.582 HG2 :: 1.288 HG3 :: 1.288 HD2 :: 1.601 HD3 :: 1.601 HE2 :: 2.894 HE3 :: 2.894 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 :: 121.516 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.S96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.182 CA :: 58.063 CB :: 64.019 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.9 HA :: 4.264 HB2 :: 3.636 HB3 :: 3.636 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 :: 116.873 Ave N Shift Values>> N :: 116.28(3.52) 1.N97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.3 L 0.17 N 0.14 F 0.13 Y 0.11 C 0.07 K 0.04 C Shift Assignments>> CA :: 54.761 CB :: 40.442 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 :: 7.9 HA :: 4.309 HB2 :: 2.59 HB3 :: 2.59 HD21 :: 7.299 HD22 :: 6.631 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 :: 125.959 ND2 :: 112.547 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) ########################################################################### Overall Results: #Consistent: 93 #Clerical: 0 #Suspicious: 4 #Anomalous: 0 #Mistyped: 0 #Indeterminable: 0 Typing Results: #Consistent: 95 #Suspicious: 0 #Mistyped: 0 #Indeterminable: 2 Shift Relative Order (SRO) Results: #Consistent: 97 #Suspicious: 0 C Shift Results: #Consistent: 383 #Duplicate: 0 #Unknown: 0 #Suspicious: 0 #Anomalous: 0 H Shift Results: #Consistent: 629 #Duplicate: 0 #Unknown: 0 #Suspicious: 5 #Anomalous: 0 N Shift Results: #Consistent: 95 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 0 Error Summary: 1.L18 HG = 0.389(S), Expected = 1.51, Std = 0.3300, ChiSquare = 6.8137e-04 1.T55 HG21 = 0.235(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3272e-05 1.T55 HG22 = 0.235(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3272e-05 1.T55 HG23 = 0.235(S), Expected = 1.14, Std = 0.2300, ChiSquare = 8.3272e-05 1.Q62 NE2 = 102.8(S), Expected = 111.87, Std = 1.7200, ChiSquare = 1.3402e-07 1.K67 HG3 = 0.095(S), Expected = 1.35, Std = 0.2800, ChiSquare = 7.3897e-06