Assignment Validation Software (AVS) (c) Hunter Moseley and Gaetano Montelione, 2004 1.V1 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> V 0.58 C 0.41 C Shift Assignments>> C :: 172.71 CA :: 61.462 CB :: 32.661 CG1 :: 20.303 CG2 :: 20.626 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>> HA :: 3.915 HB :: 2.238 HG11 :: 1.012 HG12 :: 1.012 HG13 :: 1.012 HG21 :: 1.006 HG22 :: 1.006 HG23 :: 1.006 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) 1.G2 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>> C :: 173.547 CA :: 45.453 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.983 HA2 :: 4.169 HA3 :: 3.905 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 114.334 Ave N Shift Values>> N :: 109.67(3.87) 1.S3 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 172.091 CA :: 57.909 CB :: 64.073 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.982 HA :: 4.421 HB2 :: 3.752 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 :: 114.681 Ave N Shift Values>> N :: 116.28(3.52) 1.L4 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.52 G 0.16 C 0.15 R 0.08 K 0.05 C Shift Assignments>> C :: 174.762 CA :: 54.473 CB :: 43.789 CD2 :: 24.775 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 :: 8.318 HA :: 4.629 HB2 :: 1.715 HB3 :: 1.429 HG :: 1.411 HD11 :: 0.748 HD12 :: 0.748 HD13 :: 0.748 HD21 :: 0.704 HD22 :: 0.704 HD23 :: 0.704 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 :: 124.376 Ave N Shift Values>> N :: 121.86(3.9) 1.N5 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> D 0.38 L 0.21 N 0.18 K 0.06 C 0.05 F 0.04 Y 0.02 R 0.02 C Shift Assignments>> C :: 174.717 CA :: 51.608 CB :: 41.596 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 :: 8.016 HA :: 5.743 HB2 :: 1.444(S) HB3 :: 1.217(S) HD21 :: 6.28 HD22 :: 5.108(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 :: 121.926 ND2 :: 112.054 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) SRO Rule Breaks>> (HD22 > HA : 0.9966) 1.C6 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.15 E 0.15 R 0.14 C 0.14 H 0.13 Q 0.11 K 0.06 M 0.06 I 0.01 V 0.01 C Shift Assignments>> C :: 172.766 CA :: 57.547 CB :: 30.308 Ave C Shift Values>> C :: 174.95(2.07) CA :: 58.3(3.33) CB :: 32.49(6.01) H Shift Assignments>> H :: 9.546 HA :: 5.726 HB2 :: 3.048 HB3 :: 3.01 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 :: 120.447 Ave N Shift Values>> N :: 120.17(4.64) 1.I7 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> I 0.52 C 0.41 G 0.05 A 0.01 C Shift Assignments>> C :: 173.485 CA :: 59.073 CB :: 42.475 CG2 :: 17.338 CD1 :: 14.262 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 :: 9.231 HA :: 6.365(A) HB :: 2.254 HG12 :: 1.59 HG21 :: 1.369 HG22 :: 1.369 HG23 :: 1.369 HD11 :: 0.55 HD12 :: 0.55 HD13 :: 0.55 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 :: 125.21 Ave N Shift Values>> N :: 121.46(4.28) 1.V8 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.91 V 0.07 I 0.01 C Shift Assignments>> C :: 171.084 CA :: 60.902 CB :: 36.518 CG1 :: 21.642 CG2 :: 17.824 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 :: 9.409 HA :: 4.961 HB :: 1.335 HG11 :: 0.609 HG12 :: 0.609 HG13 :: 0.609 HG21 :: -0.093 HG22 :: -0.093 HG23 :: -0.093 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 :: 133.339 Ave N Shift Values>> N :: 121.14(4.54) 1.A9 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.9 L 0.04 C 0.03 M 0.01 C Shift Assignments>> C :: 174.905 CA :: 51.084 CB :: 20.822 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 9.733 HA :: 5.291 HB1 :: 1.324 HB2 :: 1.324 HB3 :: 1.324 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 132.848 Ave N Shift Values>> N :: 123.23(3.54) 1.V10 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.29 C 0.27 M 0.09 Y 0.08 K 0.06 I 0.05 F 0.04 Q 0.04 V 0.02 C Shift Assignments>> C :: 174.303 CA :: 58.065 CB :: 35.831 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 :: 9.02 HA :: 5.415 HB :: 1.904 HG11 :: 0.64 HG12 :: 0.64 HG13 :: 0.64 HG21 :: 0.754 HG22 :: 0.754 HG23 :: 0.754 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 :: 115.389 Ave N Shift Values>> N :: 121.14(4.54) 1.S11 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.522 CA :: 58.466 CB :: 65.01 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.166 HA :: 5.176 HB2 :: 5.414(A) HB3 :: 4.496 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 :: 116.644 Ave N Shift Values>> N :: 116.28(3.52) 1.Q12 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Q 0.33 E 0.21 C Shift Assignments>> C :: 175.75 CA :: 59.448 CB :: 29.416 CD :: 179.957 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 :: 8.165 HA :: 4.196 HB3 :: 1.915 HE21 :: 7.559 HE22 :: 6.75 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 :: 123.326 NE2 :: 110.9 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N13 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 M 0.24 N 0.12 Q 0.11 E 0.08 K 0.08 Y 0.02 H 0.01 R 0.01 F 0.01 C Shift Assignments>> C :: 172.99 CA :: 52.913 CB :: 35.19 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 :: 9.153 HA :: 4.888 HB2 :: 3.317 HB3 :: 2.86 HD21 :: 8.581 HD22 :: 7.721 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 :: 112.592 ND2 :: 119.644 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.M14 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.22 C 0.13 K 0.09 Q 0.09 H 0.05 W 0.04 E 0.02 I 0.01 C Shift Assignments>> C :: 175.481 CA :: 55.604 CB :: 26.488 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 :: 8.208 HA :: 4.466 HB2 :: 2.857 HB3 :: 2.816 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 :: 111.071 Ave N Shift Values>> N :: 120.09(3.57) 1.G15 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 174.474 CA :: 45.803 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.184 HA2 :: 4.276 HA3 :: 3.928 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 107.959 Ave N Shift Values>> N :: 109.67(3.87) 1.I16 Overall: Mistyped Typing: Mistyped SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.98 G 0.01 C Shift Assignments>> C :: 174.824 CA :: 60.484 CB :: 41.447 CG1 :: 19.811(S) CG2 :: 19.689 CD1 :: 14.442 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 :: 8.596 HA :: 5.063 HB :: 2.406 HG13 :: 1.394 HG21 :: 1.25 HG22 :: 1.25 HG23 :: 1.25 HD11 :: 1.129 HD12 :: 1.129 HD13 :: 1.129 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 :: 109.498 Ave N Shift Values>> N :: 121.46(4.28) 1.G17 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.6 L 0.2 R 0.08 C 0.04 F 0.02 D 0.01 Y 0.01 C Shift Assignments>> C :: 171.381 CA :: 44.662 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.132 HA2 :: 4.753 HA3 :: 3.815 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 105.814 Ave N Shift Values>> N :: 109.67(3.87) 1.K18 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 Q 0.21 C 0.2 K 0.15 E 0.08 H 0.03 R 0.03 W 0.01 Y 0.01 V 0.01 C Shift Assignments>> C :: 175.103 CA :: 55.846 CB :: 34.477 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 :: 8.894 HA :: 4.344 HB2 :: 1.865 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 :: 122.501 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N19 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> N 0.57 C 0.26 D 0.14 E 0.01 C Shift Assignments>> C :: 174.914 CA :: 54.185 CB :: 37.52 CG :: 177.918 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 :: 10.751(S) HA :: 4.393 HB2 :: 3.093 HB3 :: 2.655 HD21 :: 7.725 HD22 :: 7.001 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 :: 130.826 ND2 :: 112.619 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.G20 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.87 L 0.07 C 0.03 C Shift Assignments>> C :: 172.613 CA :: 45.821 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.339 HA2 :: 4.128 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 :: 105.144 Ave N Shift Values>> N :: 109.67(3.87) 1.D21 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.74 L 0.12 R 0.04 D 0.04 C 0.02 C Shift Assignments>> C :: 176.036 CA :: 51.569 CB :: 44.445 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 :: 7.711 HA :: 5.008 HB2 :: 2.811 HB3 :: 2.421 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 :: 121.529 Ave N Shift Values>> N :: 120.65(3.86) 1.L22 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.7 C 0.26 A 0.02 HN Overlap>> 1.L133 1.L133 C Shift Assignments>> CA :: 53.281 CB :: 39.947 CG :: 26.982 CD1 :: 24.224 CD2 :: 25.781 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 :: 9.214 HA :: 4.225 HB2 :: 1.322 HB3 :: -0.238(S) HG :: 1.556 HD11 :: 0.8 HD12 :: 0.8 HD13 :: 0.8 HD21 :: 0.758 HD22 :: 0.758 HD23 :: 0.758 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 :: 122.21 Ave N Shift Values>> N :: 121.86(3.9) 1.P23 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.61 A 0.15 G 0.07 N 0.06 C 0.04 D 0.01 C Shift Assignments>> CD :: 48.685 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>> HD2 :: 2.964 HD3 :: 0.435(S) 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.W24 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> W 0.99 C Shift Assignments>> CE3 :: 119.235 CZ2 :: 115.372 CZ3 :: 121.945 CH2 :: 124.134 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 :: 5.171(S) HA :: 4.314 HB2 :: 2.456 HD1 :: 7.132 HE1 :: 9.651 HE3 :: 6.593 HZ2 :: 7.099 HZ3 :: 6.968 HH2 :: 7.353 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 :: 111.076 NE1 :: 130.882 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.P25 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.68 A 0.14 N 0.08 D 0.02 C 0.01 L 0.01 C Shift Assignments>> CD :: 50.478 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>> HG2 :: 2.059 HG3 :: 2.005 HD2 :: 3.748 HD3 :: 3.429 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.P26 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.44 V 0.37 C 0.12 W 0.02 I 0.01 C Shift Assignments>> C :: 176.793 CA :: 63.598 CB :: 31.874 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 :: 4.059 HB2 :: 2.154 HB3 :: 1.765 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.L27 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.25 A 0.14 G 0.01 C Shift Assignments>> C :: 176.389 CA :: 52.534 CB :: 41.739 CG :: 24.851 CD1 :: 23.293 CD2 :: 25.359 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 :: 7.587 HA :: 4.364 HB2 :: 1.003 HB3 :: 1.434 HG :: 1.877 HD11 :: 0.597 HD12 :: 0.597 HD13 :: 0.597 HD21 :: 0.028 HD22 :: 0.028 HD23 :: 0.028 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 :: 127.311 Ave N Shift Values>> N :: 121.86(3.9) 1.R28 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.47 R 0.4 G 0.09 K 0.02 C Shift Assignments>> C :: 180.012 CA :: 60.076 CB :: 30.216 CG :: 27.207 CD :: 43.459 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 :: 9.205 HA :: 3.958 HB2 :: 1.99 HB3 :: 1.905 HG2 :: 1.799 HG3 :: 1.64 HD2 :: 3.322 HD3 :: 3.209 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 :: 126.962 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.N29 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.52 N 0.43 D 0.02 C Shift Assignments>> C :: 178.313 CA :: 55.615 CB :: 36.784 CG :: 176.486 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 :: 11.155(S) HA :: 4.716 HB2 :: 3.15 HB3 :: 2.861 HD21 :: 7.654 HD22 :: 7.076 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 :: 121.524 ND2 :: 112.555 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.E30 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.25 V 0.22 W 0.12 P 0.11 R 0.05 E 0.05 I 0.05 H 0.04 K 0.03 Q 0.02 M 0.02 C Shift Assignments>> C :: 178.511 CA :: 61.191 CB :: 31.072 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 :: 7.454 HA :: 4.099 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 :: 130.061 Ave N Shift Values>> N :: 120.67(3.48) 1.F31 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.45 Y 0.32 F 0.21 C Shift Assignments>> C :: 179.248 CA :: 59.018 CB :: 36.928 CD1 :: 129.843 CE1 :: 130.964 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 :: 7.928 HA :: 4.558 HB2 :: 3.44 HB3 :: 3.329 HD1 :: 7.129 HE1 :: 6.94 HZ :: 7.099 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 :: 116.748 Ave N Shift Values>> N :: 120.45(4.18) 1.R32 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 R 0.35 G 0.11 K 0.03 C Shift Assignments>> C :: 178.645 CA :: 60.005 CB :: 30.353 CG :: 28.124 CD :: 43.614 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 :: 8.526 HA :: 4.122 HB2 :: 2.056 HB3 :: 2 HG2 :: 1.777 HD2 :: 3.301 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 :: 121.081 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.Y33 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 Y 0.43 HN Overlap>> 1.H127 1.H127 C Shift Assignments>> C :: 176.065 CA :: 61.243 CB :: 37.46 CD1 :: 132.958 CE1 :: 119.571 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 :: 7.782 HA :: 4.172 HB2 :: 3.378 HB3 :: 3.076 HD1 :: 6.711 HE1 :: 6.725 HH :: 8.932 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 :: 123.84 Ave N Shift Values>> N :: 120.52(4.2) 1.F34 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.57 C 0.41 F 0.01 C Shift Assignments>> C :: 177.917 CA :: 61.176 CB :: 38.443 CD1 :: 127.677(S) CE1 :: 131.402 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 :: 8.449 HA :: 4.153 HB2 :: 3.397 HB3 :: 2.885 HD1 :: 6.859 HE1 :: 7.225 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 :: 120.695 Ave N Shift Values>> N :: 120.45(4.18) 1.Q35 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.36 K 0.27 Q 0.16 R 0.14 M 0.03 C Shift Assignments>> C :: 177.62 CA :: 59.122 CB :: 28.35 CG :: 32.658 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 :: 8.817 HA :: 3.363 HB2 :: 2.28 HB3 :: 2.159 HG2 :: 2.366 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 :: 121.967 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.R36 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.47 C 0.45 G 0.07 C Shift Assignments>> C :: 179.591 CA :: 59.89 CB :: 30.218 CG :: 27.313 CD :: 43.306 CZ :: 159.489 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 :: 8.284 HA :: 3.798 HB2 :: 1.757 HB3 :: 1.72 HG2 :: 1.403 HG3 :: 1.337 HD2 :: 3.285 HD3 :: 3.098 HE :: 7.542 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 :: 122.518 NE :: 82.778 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.M37 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.44 M 0.31 A 0.15 I 0.08 C Shift Assignments>> C :: 177.432 CA :: 55.95 CB :: 29.531 CE :: 17.319 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 :: 8.378 HA :: 3.911 HB2 :: 0.664(S) HB3 :: 0.722(S) HE1 :: 1.872 HE2 :: 1.872 HE3 :: 1.872 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 :: 117.63 Ave N Shift Values>> N :: 120.09(3.57) 1.T38 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> T 0.92 C 0.07 C Shift Assignments>> C :: 176.91 CA :: 62.746 CB :: 69.692 CG2 :: 21.559 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 :: 6.54 HA :: 1.961(S) HB :: 2.97(S) HG21 :: -0.159(S) HG22 :: -0.159(S) HG23 :: -0.159(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 :: 101.328 Ave N Shift Values>> N :: 115.42(4.75) 1.T39 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.N126 1.N126 C Shift Assignments>> C :: 175.768 CA :: 64.934 CB :: 68.775 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 :: 7.315 HA :: 3.91 HB :: 3.841 HG1 :: 5.205 HG21 :: 1.146 HG22 :: 1.146 HG23 :: 1.146 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 :: 116.089 Ave N Shift Values>> N :: 115.42(4.75) 1.T40 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.96 C 0.03 C Shift Assignments>> C :: 174.042 CA :: 65.573 CB :: 68.488 CG2 :: 20.662 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 :: 7.093 HA :: 3.908 HB :: 4.155 HG21 :: 1.14 HG22 :: 1.14 HG23 :: 1.14 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 :: 117.561 Ave N Shift Values>> N :: 115.42(4.75) 1.S41 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 175.022 CA :: 56.637 CB :: 64.759 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.791 HA :: 4.915 HB2 :: 3.941 HB3 :: 3.703 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 :: 126.938 Ave N Shift Values>> N :: 116.28(3.52) 1.S42 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 173.818 CA :: 59.268 CB :: 64.459 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 9.672 HA :: 4.471 HB2 :: 4.024 HB3 :: 3.88 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 :: 121.743 Ave N Shift Values>> N :: 116.28(3.52) 1.V43 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.54 C 0.45 C Shift Assignments>> C :: 175.292 CA :: 61.206 CB :: 34.837 CG1 :: 21.241 CG2 :: 20.584 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 :: 7.743 HA :: 4.221 HB :: 1.651 HG11 :: 0.886 HG12 :: 0.886 HG13 :: 0.886 HG21 :: 0.85 HG22 :: 0.85 HG23 :: 0.85 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 :: 122.046 Ave N Shift Values>> N :: 121.14(4.54) 1.E44 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.37 C 0.33 K 0.1 I 0.07 Q 0.07 M 0.03 C Shift Assignments>> C :: 177.252 CA :: 58.052 CB :: 29.535 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 :: 8.792 HA :: 4.085 HB2 :: 1.99 HB3 :: 1.948 HG2 :: 2.269 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 :: 129.05 Ave N Shift Values>> N :: 120.67(3.48) 1.G45 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 :: 174.199 CA :: 45.266 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.96 HA2 :: 4.237 HA3 :: 3.711 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.977 Ave N Shift Values>> N :: 109.67(3.87) 1.K46 Overall: Suspicious Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.6 E 0.15 K 0.08 I 0.07 Q 0.03 L 0.02 R 0.01 C Shift Assignments>> C :: 175.202 CA :: 55.388 CB :: 36.576 CG :: 26.393 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 :: 7.557 HA :: 4.72 HB2 :: 1.662 HB3 :: 1.591 HG2 :: 1.253 HG3 :: 1.101 HD2 :: 2.817(S) HE2 :: 2.803 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 :: 118.166 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) SRO Rule Breaks>> (HE2 > HD2 : 0.9981) 1.Q47 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.85 Q 0.09 E 0.02 N 0.02 C Shift Assignments>> C :: 174.555 CA :: 54.038 CB :: 34.328 CG :: 34.418 CD :: 179.744 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 :: 8.422 HA :: 4.848 HB3 :: 1.854 HG2 :: 2.321 HE21 :: 7.065 HE22 :: 6.521 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 :: 117.931 NE2 :: 108.237 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.N48 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.61 D 0.18 C 0.07 L 0.04 F 0.04 Y 0.03 C Shift Assignments>> C :: 174.24 CA :: 51.603 CB :: 39.095 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 :: 9.988 HA :: 5.525 HB2 :: 3.214 HB3 :: 2.846 HD21 :: 6.766 HD22 :: 6.324 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 :: 120.58 ND2 :: 108.017 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L49 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.57 G 0.33 L 0.08 C Shift Assignments>> C :: 175.481 CA :: 53.466 CB :: 47.227 CG :: 28.322 CD1 :: 25.545 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 :: 8.999 HA :: 5.287 HB2 :: 1.854 HB3 :: 1.386 HG :: 1.357 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.736 HD22 :: 0.736 HD23 :: 0.736 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 :: 123.572 Ave N Shift Values>> N :: 121.86(3.9) 1.V50 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.71 V 0.27 A 0.01 C Shift Assignments>> C :: 173.071 CA :: 58.409 CB :: 33.727 CG1 :: 23.271 CG2 :: 20.666 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 :: 9.535 HA :: 5.683 HB :: 2.083 HG11 :: 0.831 HG12 :: 0.831 HG13 :: 0.831 HG21 :: 1.042 HG22 :: 1.042 HG23 :: 1.042 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 :: 119.818 Ave N Shift Values>> N :: 121.14(4.54) 1.I51 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.69 C 0.3 C Shift Assignments>> C :: 174.744 CA :: 60.392 CB :: 40.579 CG2 :: 16.666 CD1 :: 14.451 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 :: 9.133 HA :: 4.926 HB :: 1.606 HG21 :: 0.569 HG22 :: 0.569 HG23 :: 0.569 HD11 :: 0.555 HD12 :: 0.555 HD13 :: 0.555 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 :: 124.137 Ave N Shift Values>> N :: 121.46(4.28) 1.M52 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.87 C 0.1 C Shift Assignments>> C :: 174.492 CA :: 52.375 CB :: 39.857 CE :: 17.961 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 :: 8.737 HA :: 5.644 HB2 :: 2.066 HB3 :: 1.908 HE1 :: 2.009 HE2 :: 2.009 HE3 :: 2.009 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 :: 124.022 Ave N Shift Values>> N :: 120.09(3.57) 1.G53 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.29 L 0.29 R 0.24 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.422 CA :: 44.093 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.166 HA2 :: 4.165 HA3 :: 4.048 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 106.615 Ave N Shift Values>> N :: 109.67(3.87) 1.K54 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.32 V 0.26 K 0.1 Q 0.08 M 0.06 W 0.04 R 0.03 H 0.02 I 0.01 P 0.01 E 0.01 C Shift Assignments>> C :: 177.522 CA :: 60.397 CB :: 33.709 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 :: 7.65 HA :: 3.827 HB2 :: 2.24 HB3 :: 2.04 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 :: 119.138 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.K55 Overall: Suspicious Typing: Suspicious SRO: Consistent C Shifts: Suspicious H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.53 E 0.23 I 0.2 M 0.02 C Shift Assignments>> C :: 180.282 CA :: 59.739 CB :: 30.494 CE :: 37.634(S) 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 :: 7.722 HA :: 4.37 HB2 :: 2.267 HB3 :: 2.058 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 :: 114.393 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.T56 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.99 HN Overlap>> 1.Q84 1.Q84 C Shift Assignments>> C :: 175.858 CA :: 69.176 CB :: 67.712 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 :: 8.636 HA :: 3.611 HB :: 3.99 HG1 :: 6.039 HG21 :: 0.982 HG22 :: 0.982 HG23 :: 0.982 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 :: 121.685 Ave N Shift Values>> N :: 115.42(4.75) 1.W57 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> C 0.5 W 0.49 C Shift Assignments>> C :: 175.885 CA :: 61.087 CB :: 28.719 CD1 :: 126.157 CE3 :: 122.501 CZ2 :: 114.003 CZ3 :: 120.415 CH2 :: 121.8 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 :: 7.703 HA :: 4.178 HD1 :: 4.694(A) HE1 :: 9.728 HE3 :: 7.935 HZ2 :: 7.387 HZ3 :: 7.322 HH2 :: 6.311 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 :: 121.333 NE1 :: 129.57 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.F58 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.39 Y 0.38 C 0.22 C Shift Assignments>> C :: 176.425 CA :: 61.153 CB :: 38.818 CD1 :: 132.648 CE1 :: 131.104 CZ :: 129.959 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 :: 7.424 HA :: 3.949 HB2 :: 3.378 HB3 :: 2.868 HD1 :: 7.574 HE1 :: 7.431 HZ :: 7.547 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 :: 109.719 Ave N Shift Values>> N :: 120.45(4.18) 1.S59 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 174.447 CA :: 59.974 CB :: 63.758 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.882 HA :: 4.367 HB2 :: 4.088 HB3 :: 3.939 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 :: 116.96 Ave N Shift Values>> N :: 116.28(3.52) 1.I60 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.59 C 0.4 C Shift Assignments>> CA :: 59.426 CB :: 38.481 CG1 :: 27.364 CG2 :: 16.815 CD1 :: 12.817 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 :: 7.216 HA :: 3.731 HB :: 1.283 HG12 :: 1.554 HG13 :: 0.247 HG21 :: 0.519 HG22 :: 0.519 HG23 :: 0.519 HD11 :: 0.331 HD12 :: 0.331 HD13 :: 0.331 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 :: 126.764 Ave N Shift Values>> N :: 121.46(4.28) 1.P61 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 :: 177.692 CA :: 63.258 CB :: 32.127 CD :: 50.643 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 :: 4.167 HB2 :: 2.316 HG2 :: 2.045 HD2 :: 3.978 HD3 :: 3.52 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.E62 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.41 E 0.27 I 0.24 K 0.03 Q 0.01 M 0.01 HN Overlap>> 1.V169 1.V169 C Shift Assignments>> C :: 178.169 CA :: 60.656 CB :: 29.749 CG :: 36.328 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 :: 8.659 HA :: 3.432 HB2 :: 2.019 HB3 :: 1.951 HG2 :: 2.283 HG3 :: 2.222 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 :: 124.762 Ave N Shift Values>> N :: 120.67(3.48) 1.K63 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.16 R 0.13 K 0.12 W 0.12 M 0.12 H 0.11 E 0.1 Q 0.05 V 0.03 C Shift Assignments>> C :: 176.623 CA :: 57.853 CB :: 31.619 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 :: 8.379 HB2 :: 1.778 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 :: 115.177 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N64 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.6 D 0.32 C 0.06 C Shift Assignments>> C :: 171.876 CA :: 52.17 CB :: 40.028 CG :: 177.225 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 :: 8.273 HA :: 4.815 HB2 :: 2.99 HB3 :: 2.315 HD21 :: 6.965 HD22 :: 7.326 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 :: 117.359 ND2 :: 110.087 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.R65 Overall: Anomalous Typing: Consistent SRO: Suspicious C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> R 0.37 C 0.32 K 0.23 G 0.06 C Shift Assignments>> CA :: 53.239 CB :: 32.239 CD :: 42.865 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 :: 7.133 HA :: 4.049 HB2 :: 1.246 HB3 :: 0.911 HD2 :: 0.897(A) HD3 :: 2.209(S) HE :: 6.374 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 :: 116.829 NE :: 85.665 Ave N Shift Values>> N :: 120.8(3.68) NE :: 84.63(1.68) NH1 :: 73.82(4.62) NH2 :: 73.26(3.32) SRO Rule Breaks>> (HD2 > HB2 : 0.9950) (HD2 > HB3 : 0.9951) 1.P66 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.55 P 0.44 C Shift Assignments>> C :: 175.283 CA :: 62.33 CB :: 33.761 CD :: 50.189 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 :: 4.245 HB2 :: 1.957 HB3 :: 1.724 HD2 :: 3.833 HD3 :: 3.24 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.L67 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.19 Y 0.19 D 0.19 N 0.14 C 0.11 L 0.1 I 0.02 C Shift Assignments>> C :: 179.517 CA :: 55.679 CB :: 39.474 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 :: 9.313 HA :: 4.339 HB2 :: 1.101 HB3 :: 1.732 HG :: 1.824 HD11 :: 0.991 HD12 :: 0.991 HD13 :: 0.991 HD21 :: 0.92 HD22 :: 0.92 HD23 :: 0.92 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 :: 119.443 Ave N Shift Values>> N :: 121.86(3.9) 1.K68 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.2 K 0.18 M 0.15 Q 0.14 R 0.07 H 0.06 W 0.06 V 0.05 E 0.04 C Shift Assignments>> C :: 179.212 CA :: 57.894 CB :: 33.073 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 :: 8.582 HA :: 4.116 HB2 :: 1.845 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 :: 127.436 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G69 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>> C :: 172.568 CA :: 46.008 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 9.206 HA2 :: 4.063 HA3 :: 3.8 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 112.245 Ave N Shift Values>> N :: 109.67(3.87) 1.R70 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 M 0.23 E 0.15 Q 0.11 K 0.09 N 0.07 Y 0.03 H 0.01 F 0.01 R 0.01 C Shift Assignments>> C :: 174.869 CA :: 54.141 CB :: 35.35 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 :: 7.447 HA :: 4.706 HB2 :: 1.877 HE :: 5.901 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 :: 117.842 NE :: 85.572 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.I71 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.68 C 0.31 C Shift Assignments>> CA :: 61.318 CB :: 38.523 CG2 :: 19.002 CD1 :: 13.778 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 :: 9.019 HA :: 4.138 HB :: 1.684 HG12 :: 1.527 HG13 :: 0.855 HG21 :: 1.03 HG22 :: 1.03 HG23 :: 1.03 HD11 :: 0.681 HD12 :: 0.681 HD13 :: 0.681 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 :: 124.694 Ave N Shift Values>> N :: 121.46(4.28) 1.N72 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> N 0.49 D 0.37 C 0.12 C Shift Assignments>> C :: 172.712 CA :: 53.48 CB :: 41.248 CG :: 176.173 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 :: 12.919(A) HA :: 5.242 HB2 :: 3.194 HB3 :: 2.391 HD21 :: 7.573 HD22 :: 6.994 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 :: 131.529 ND2 :: 109.078 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.L73 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.58 C 0.38 L 0.01 R 0.01 C Shift Assignments>> C :: 173.422 CA :: 54.719 CB :: 45.878 CG :: 28.531 CD1 :: 28.305 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 :: 9.334 HA :: 5.08 HB2 :: 1.347 HB3 :: 1.754 HG :: 1.353 HD11 :: 0.744 HD12 :: 0.744 HD13 :: 0.744 HD21 :: 0.625 HD22 :: 0.625 HD23 :: 0.625 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 :: 129.736 Ave N Shift Values>> N :: 121.86(3.9) 1.V74 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.59 V 0.4 C Shift Assignments>> C :: 173.746 CA :: 60.005 CB :: 34.845 CG1 :: 20.413 CG2 :: 22.007 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 :: 8.151 HA :: 4.756 HB :: 1.2 HG11 :: 0.477 HG12 :: 0.477 HG13 :: 0.477 HG21 :: 0.071 HG22 :: 0.071 HG23 :: 0.071 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 :: 126.337 Ave N Shift Values>> N :: 121.14(4.54) 1.L75 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> L 0.63 C 0.25 A 0.04 G 0.03 R 0.03 HN Overlap>> 1.K176 1.K176 C Shift Assignments>> C :: 175.894 CA :: 52.085 CB :: 42.109 CG :: 25.58 CD1 :: 24.072 CD2 :: 26.61 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 :: 8.311 HA :: 4.94 HB2 :: 0.481(S) HB3 :: -0.429(S) HG :: 0.9 HD11 :: 0.093 HD12 :: 0.093 HD13 :: 0.093 HD21 :: 0.034 HD22 :: 0.034 HD23 :: 0.034 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 :: 126.528 Ave N Shift Values>> N :: 121.86(3.9) 1.S76 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Anomalous N Shifts: Consistent PRTL>> S 0.97 T 0.02 C Shift Assignments>> C :: 175.049 CA :: 59.145 CB :: 65.428 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.983 HA :: 5.136 HB2 :: 3.29 HB3 :: 4.285 HG :: 9.362(A) 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 :: 113.7 Ave N Shift Values>> N :: 116.28(3.52) 1.R77 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> R 0.49 C 0.44 G 0.05 C Shift Assignments>> C :: 177.045 CA :: 57.309 CB :: 30.264 CD :: 43.182 CZ :: 158.925 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 :: 11.047(S) HA :: 4.556 HB2 :: 1.969 HB3 :: 1.718 HG2 :: 1.85 HD2 :: 3.201 HD3 :: 3.135 HE :: 7.425 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 :: 128.768 NE :: 85.729 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.E78 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.46 E 0.27 M 0.23 Q 0.02 C Shift Assignments>> C :: 178.205 CA :: 57.321 CB :: 32.418 CG :: 36.2 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 :: 8.335 HA :: 4.349 HB2 :: 2.05 HB3 :: 1.982 HG2 :: 2.383 HG3 :: 2.231 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 :: 119.442 Ave N Shift Values>> N :: 120.67(3.48) 1.L79 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.46 C 0.32 R 0.11 A 0.06 G 0.02 C Shift Assignments>> C :: 177.045 CA :: 55.535 CB :: 42.53 CG :: 27.22 CD1 :: 22.372 CD2 :: 25.519 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 :: 8.409 HA :: 4.188 HB2 :: 1.593 HB3 :: 1.535 HG :: 2.014 HD11 :: 1.045 HD12 :: 1.045 HD13 :: 1.045 HD21 :: 0.892 HD22 :: 0.892 HD23 :: 0.892 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 :: 119.8 Ave N Shift Values>> N :: 121.86(3.9) 1.K80 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Q 0.21 M 0.2 K 0.18 C 0.17 R 0.06 H 0.05 W 0.04 E 0.02 V 0.01 C Shift Assignments>> C :: 176.02 CA :: 56.373 CB :: 33.554 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 :: 8.793 HB2 :: 1.953 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 :: 118.236 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E81 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.19 C 0.16 R 0.15 Q 0.12 M 0.11 W 0.11 E 0.06 K 0.04 C Shift Assignments>> CA :: 52.963 CB :: 30.398 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 :: 7.484 HA :: 4.696 HB2 :: 2.061 HB3 :: 1.799 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 :: 116.601 Ave N Shift Values>> N :: 120.67(3.48) 1.P82 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.97 C 0.02 C Shift Assignments>> CA :: 61.222 CD :: 50.028 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 :: 4.105 HG2 :: 1.994 HG3 :: 1.789 HD2 :: 3.808 HD3 :: 3.593 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.P83 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> C 0.51 P 0.47 C Shift Assignments>> C :: 175.481 CA :: 62.072 CB :: 32.121 CD :: 49.028 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 :: 4.422 HB2 :: 2.27 HB3 :: 1.738 HG2 :: 2.075 HG3 :: 2.017 HD2 :: 3.297 HD3 :: 2.65 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.Q84 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.5 Q 0.45 E 0.04 HN Overlap>> 1.T56 1.T56 C Shift Assignments>> C :: 176.784 CA :: 58.439 CB :: 28.555 CG :: 33.368 CD :: 180.134 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 :: 8.553 HA :: 3.909 HB2 :: 2.151 HB3 :: 2.028 HG2 :: 2.396 HG3 :: 2.392 HE21 :: 7.678 HE22 :: 6.942 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 :: 121.63 NE2 :: 112.942 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.G85 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.68 L 0.17 R 0.05 C 0.03 F 0.01 D 0.01 Y 0.01 HN Overlap>> 1.S167 1.S167 C Shift Assignments>> C :: 173.53 CA :: 44.847 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.914 HA2 :: 3.459 HA3 :: 4.462 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 117.023 Ave N Shift Values>> N :: 109.67(3.87) 1.A86 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> A 0.76 M 0.22 C Shift Assignments>> C :: 176.434 CA :: 51.722 CB :: 17.291 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.029 HA :: 3.638 HB1 :: 0.223(S) HB2 :: 0.223(S) HB3 :: 0.223(S) Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.174 Ave N Shift Values>> N :: 123.23(3.54) 1.H87 Overall: Anomalous Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Anomalous PRTL>> C 0.7 H 0.18 W 0.09 C Shift Assignments>> C :: 175.481 CA :: 60.629 CB :: 32.849 CD2 :: 116.749 CE1 :: 137.671 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 :: 7.697 HA :: 4.073 HB2 :: 2.845 HB3 :: 3.2 HD2 :: 7.044 HE1 :: 8.042 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 :: 118.257 ND1 :: 171.526 NE2 :: 247.152(A) Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.F88 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.75 C 0.12 F 0.07 Y 0.04 C Shift Assignments>> C :: 172.208 CA :: 57.191 CB :: 46.557 CD1 :: 131.726 CE1 :: 131.542 CZ :: 130.866 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 :: 7.723 HA :: 4.723 HB2 :: 3.039 HB3 :: 2.237 HD1 :: 7.07 HE1 :: 7.265 HZ :: 7.209 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 :: 112.121 Ave N Shift Values>> N :: 120.45(4.18) 1.L89 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.47 C 0.36 L 0.15 C Shift Assignments>> C :: 175.905 CA :: 53.074 CB :: 47.046 CD1 :: 25.206 CD2 :: 25.714 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 :: 8.859 HA :: 5.553 HB2 :: 1.583 HB3 :: 0.82 HG :: 1.275 HD11 :: 0.797 HD12 :: 0.797 HD13 :: 0.797 HD21 :: 0.403 HD22 :: 0.403 HD23 :: 0.403 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 :: 124.152 Ave N Shift Values>> N :: 121.86(3.9) 1.S90 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.69 S 0.3 C Shift Assignments>> C :: 172.208 CA :: 57.828 CB :: 67.488 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.535 HA :: 4.969 HB2 :: 3.854 HB3 :: 3.352 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 :: 119.841 Ave N Shift Values>> N :: 116.28(3.52) 1.R91 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.5 C 0.35 G 0.1 K 0.03 C Shift Assignments>> C :: 174.851 CA :: 55.515 CB :: 30.853 CG :: 27.157 CD :: 43.666 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 :: 8.966 HA :: 4.657 HB2 :: 2.062 HB3 :: 1.989 HG2 :: 1.885 HG3 :: 1.787 HD2 :: 3.335 HD3 :: 3.259 HE :: 7.382 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 :: 119.677 NE :: 84.895 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.S92 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.96 T 0.03 C Shift Assignments>> C :: 174.114 CA :: 56.958 CB :: 65.967 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.502 HA :: 5.452 HB2 :: 4.396 HB3 :: 4.193 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 :: 109.233 Ave N Shift Values>> N :: 116.28(3.52) 1.L93 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.66 L 0.28 R 0.03 K 0.01 C Shift Assignments>> C :: 177.692 CA :: 57.986 CB :: 40.839 CG :: 27.374 CD1 :: 25.84 CD2 :: 27.218 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 :: 9.281 HA :: 4.011 HB2 :: 2.007 HB3 :: 1.276 HG :: 1.509 HD11 :: 0.794 HD12 :: 0.794 HD13 :: 0.794 HD21 :: 0.732 HD22 :: 0.732 HD23 :: 0.732 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 :: 123.729 Ave N Shift Values>> N :: 121.86(3.9) 1.D94 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.27 Y 0.23 L 0.11 C 0.11 K 0.1 D 0.07 I 0.06 C Shift Assignments>> C :: 178.933 CA :: 57.961 CB :: 40.775 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 :: 8.568 HA :: 4.364 HB2 :: 2.626 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 :: 117.619 Ave N Shift Values>> N :: 120.65(3.86) 1.D95 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.28 Y 0.25 C 0.12 D 0.1 L 0.1 I 0.06 K 0.03 N 0.02 C Shift Assignments>> C :: 178.573 CA :: 57.407 CB :: 40.167 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 :: 8.205 HA :: 4.284 HB2 :: 2.717 HB3 :: 2.744 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 :: 119.812 Ave N Shift Values>> N :: 120.65(3.86) 1.A96 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> A 0.64 M 0.24 C 0.05 L 0.02 V 0.01 I 0.01 C Shift Assignments>> C :: 178.367 CA :: 54.843 CB :: 19.543 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 7.814 HA :: 4.059 HB1 :: 1.392 HB2 :: 1.392 HB3 :: 1.392 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 124.985 Ave N Shift Values>> N :: 123.23(3.54) 1.L97 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.57 C 0.42 C Shift Assignments>> C :: 181.316 CA :: 57.123 CB :: 40.13 CG :: 26.73 CD1 :: 25.188 CD2 :: 25.154 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 :: 8.076 HA :: 3.939 HB2 :: 1.883 HB3 :: 1.443 HG :: 1.844 HD11 :: 0.663 HD12 :: 0.663 HD13 :: 0.663 HD21 :: 0.623 HD22 :: 0.623 HD23 :: 0.623 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 :: 114.269 Ave N Shift Values>> N :: 121.86(3.9) 1.K98 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 K 0.14 W 0.11 V 0.1 R 0.1 M 0.09 H 0.08 E 0.07 Q 0.04 C Shift Assignments>> C :: 179.58 CA :: 59.049 CB :: 32.206 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 :: 8.187 HB2 :: 1.889 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 :: 122.222 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L99 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 :: 179.284 CA :: 58.038 CB :: 41.709 CG :: 26.563 CD1 :: 24.064 CD2 :: 24.512 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 :: 7.763 HA :: 3.966 HB2 :: 1.608 HB3 :: 1.615 HG :: 1.382 HD11 :: 0.664 HD12 :: 0.664 HD13 :: 0.664 HD21 :: 0.418 HD22 :: 0.418 HD23 :: 0.418 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 :: 122.458 Ave N Shift Values>> N :: 121.86(3.9) 1.T100 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.94 C 0.05 C Shift Assignments>> C :: 173.566 CA :: 64.449 CB :: 68.794 CG2 :: 22.125 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 :: 7.17 HA :: 3.747 HB :: 4.18 HG21 :: 1.196 HG22 :: 1.196 HG23 :: 1.196 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 :: 104.85 Ave N Shift Values>> N :: 115.42(4.75) 1.E101 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 W 0.12 C 0.12 Q 0.12 E 0.12 M 0.1 K 0.07 C Shift Assignments>> C :: 177.665 CA :: 55.51 CB :: 30.6 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 :: 7.317 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 :: 116.876 Ave N Shift Values>> N :: 120.67(3.48) 1.Q102 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.27 R 0.21 C 0.12 Q 0.12 H 0.08 W 0.06 K 0.05 E 0.03 M 0.01 C Shift Assignments>> CA :: 54.389 CB :: 27.289 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 :: 7.636 HA :: 4.516 HB2 :: 2.452 HB3 :: 2.176 HG2 :: 2.625 HE21 :: 7.542 HE22 :: 6.974 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 :: 121.672 NE2 :: 113.082 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.P103 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.894 CA :: 66.297 CB :: 32.238 CD :: 49.73 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 :: 4.19 HB2 :: 1.939 HB3 :: 2.378 HG2 :: 2.203 HG3 :: 2.055 HD2 :: 3.692 HD3 :: 3.495 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.E104 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.19 W 0.16 I 0.13 K 0.11 E 0.11 Q 0.08 H 0.08 R 0.07 V 0.01 M 0.01 C Shift Assignments>> C :: 177.351 CA :: 59.708 CB :: 29.082 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 :: 9.16 HA :: 4.095 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 :: 115.976 Ave N Shift Values>> N :: 120.67(3.48) 1.L105 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.51 G 0.29 C 0.17 A 0.01 C Shift Assignments>> C :: 178.142 CA :: 55.13 CB :: 44.351 CD1 :: 23.848 CD2 :: 24.74 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 :: 7.559 HA :: 4.55 HB2 :: 1.612 HB3 :: 1.409 HG :: 1.247 HD11 :: 0.654 HD12 :: 0.654 HD13 :: 0.654 HD21 :: 0.365 HD22 :: 0.365 HD23 :: 0.365 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 :: 116.959 Ave N Shift Values>> N :: 121.86(3.9) 1.A106 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.51 A 0.37 I 0.05 C 0.04 V 0.01 C Shift Assignments>> C :: 179.356 CA :: 55.65 CB :: 18.606 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.56 HA :: 4.191 HB1 :: 1.27 HB2 :: 1.27 HB3 :: 1.27 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 123.804 Ave N Shift Values>> N :: 123.23(3.54) 1.N107 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.42 D 0.16 C 0.11 Y 0.1 F 0.1 L 0.05 E 0.01 M 0.01 C Shift Assignments>> C :: 175.103 CA :: 54.005 CB :: 38.693 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 :: 8.42 HA :: 4.672 HB2 :: 2.905 HB3 :: 2.818 HD21 :: 7.636 HD22 :: 7.02 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 :: 112.223 ND2 :: 113.69 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.K108 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.24 E 0.23 M 0.15 K 0.1 Q 0.1 Y 0.04 F 0.02 I 0.01 V 0.01 H 0.01 R 0.01 C Shift Assignments>> C :: 175.795 CA :: 56.91 CB :: 35.361 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 :: 7.959 HA :: 4.57 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 :: 117.831 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.V109 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 V 0.27 HN Overlap>> 1.K155 1.K155 C Shift Assignments>> C :: 175.553 CA :: 60.868 CB :: 34.584 CG1 :: 23.967 CG2 :: 22.395 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 :: 7.537 HA :: 5.15 HB :: 1.974 HG11 :: 0.936 HG12 :: 0.936 HG13 :: 0.936 HG21 :: 0.852 HG22 :: 0.852 HG23 :: 0.852 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 :: 118.443 Ave N Shift Values>> N :: 121.14(4.54) 1.D110 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.22 N 0.11 K 0.1 F 0.08 Y 0.06 C 0.05 R 0.01 C Shift Assignments>> C :: 174.294 CA :: 53.996 CB :: 41.231 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 :: 8.599 HA :: 5.001 HB2 :: 3.103 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 :: 126.058 Ave N Shift Values>> N :: 120.65(3.86) 1.M111 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.38 A 0.31 M 0.25 I 0.04 C Shift Assignments>> C :: 174.474 CA :: 55.505 CB :: 36.186 CE :: 18.63 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 :: 8.06 HA :: 4.308 HB2 :: 1.697 HB3 :: 1.429 HE1 :: 2.197 HE2 :: 2.197 HE3 :: 2.197 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 :: 116.317 Ave N Shift Values>> N :: 120.09(3.57) 1.V112 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 175.202 CA :: 61.52 CB :: 32.914 CG1 :: 21.98 CG2 :: 22.526 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 :: 8.381 HA :: 4.778 HB :: 1.982 HG11 :: 0.919 HG12 :: 0.919 HG13 :: 0.919 HG21 :: 0.746 HG22 :: 0.746 HG23 :: 0.746 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 :: 120.306 Ave N Shift Values>> N :: 121.14(4.54) 1.W113 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.64 W 0.35 C Shift Assignments>> C :: 174.968 CA :: 55.108 CB :: 31.841 CD1 :: 124.388 CZ2 :: 116 CH2 :: 123.807 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 :: 9.581 HA :: 5.263 HB2 :: 2.816 HB3 :: 3.026 HD1 :: 6.736 HE1 :: 8.537 HE3 :: 6.859 HZ2 :: 6.915 HZ3 :: 6.306 HH2 :: 5.142(S) 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 :: 127.708 NE1 :: 128.801 Ave N Shift Values>> N :: 121.68(4.18) NE1 :: 129.32(2.11) 1.I114 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.53 C 0.45 C Shift Assignments>> C :: 177.92 CA :: 60.457 CB :: 38.099 CG1 :: 28.273 CG2 :: 19.607 CD1 :: 13.535 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 :: 9.757 HA :: 4.813 HB :: 2.513 HG21 :: 0.948 HG22 :: 0.948 HG23 :: 0.948 HD11 :: 0.801 HD12 :: 0.801 HD13 :: 0.801 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 :: 125.308 Ave N Shift Values>> N :: 121.46(4.28) 1.V115 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.5 C 0.49 HN Overlap>> 1.E154 1.E154 C Shift Assignments>> C :: 172.91 CA :: 60.385 CB :: 32.211 CG1 :: 22.309 CG2 :: 20.2 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 :: 8.729 HA :: 5.43 HB :: 2.965 HG11 :: 1.18 HG12 :: 1.18 HG13 :: 1.18 HG21 :: 1.079 HG22 :: 1.079 HG23 :: 1.079 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 :: 117.458 Ave N Shift Values>> N :: 121.14(4.54) 1.G116 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> K 0.29 L 0.24 D 0.15 F 0.1 Y 0.06 R 0.04 C 0.03 I 0.03 N 0.01 C Shift Assignments>> C :: 174.087 CA :: 41.895 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 6.272 HA2 :: 4.862 HA3 :: 2.728 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 103.162 Ave N Shift Values>> N :: 109.67(3.87) 1.G117 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.88 L 0.05 C 0.04 C Shift Assignments>> C :: 173.862 CA :: 46.525 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 7.397 HA2 :: 4.063 HA3 :: 3.677 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.729 Ave N Shift Values>> N :: 109.67(3.87) 1.S118 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.98 T 0.01 C Shift Assignments>> C :: 176.919 CA :: 63.628 CB :: 63.454 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 7.837 HA :: 4.241 HB2 :: 3.988 HB3 :: 3.993 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 :: 116.011 Ave N Shift Values>> N :: 116.28(3.52) 1.S119 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 C Shift Assignments>> C :: 177.234 CA :: 62.274 CB :: 63.513 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 10.002 HB2 :: 4.126 HB3 :: 4.25 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 :: 115.787 Ave N Shift Values>> N :: 116.28(3.52) 1.V120 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.84 C 0.15 C Shift Assignments>> C :: 178.385 CA :: 65.878 CB :: 31.455 CG1 :: 22.743 CG2 :: 23.075 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 :: 7.283 HA :: 3.83 HB :: 1.756 HG11 :: 0.882 HG12 :: 0.882 HG13 :: 0.882 HG21 :: 0.712 HG22 :: 0.712 HG23 :: 0.712 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 :: 125.7 Ave N Shift Values>> N :: 121.14(4.54) 1.Y121 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.41 C 0.3 F 0.27 C Shift Assignments>> C :: 177.794 CA :: 60.266 CB :: 37.893 CD1 :: 132.52 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 :: 8.279 HA :: 4.376 HB2 :: 3.099 HB3 :: 2.985 HD1 :: 7.063 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 :: 119.145 Ave N Shift Values>> N :: 120.52(4.2) 1.K122 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.27 V 0.22 K 0.11 W 0.08 R 0.06 M 0.06 H 0.05 Q 0.04 E 0.04 P 0.02 C Shift Assignments>> C :: 178.403 CA :: 60.09 CB :: 32.581 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 :: 8.139 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 :: 116.965 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.E123 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.38 C 0.37 I 0.11 K 0.05 M 0.03 Q 0.02 C Shift Assignments>> C :: 179.652 CA :: 58.73 CB :: 29.796 CG :: 36.474 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 :: 7.236 HA :: 4.244 HB2 :: 2.214 HB3 :: 2.133 HG2 :: 2.453 HG3 :: 2.367 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 :: 116.962 Ave N Shift Values>> N :: 120.67(3.48) 1.A124 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.44 A 0.43 C 0.04 I 0.04 V 0.01 C Shift Assignments>> C :: 178.888 CA :: 55.528 CB :: 18.896 Ave C Shift Values>> C :: 177.74(2.13) CA :: 53.14(1.98) CB :: 19.01(1.83) H Shift Assignments>> H :: 8.718 HA :: 3.79 HB1 :: 1.46 HB2 :: 1.46 HB3 :: 1.46 Ave H Shift Values>> H :: 8.2(0.6) HA :: 4.26(0.44) HB :: 1.35(0.26) N Shift Assignments>> N :: 121.91 Ave N Shift Values>> N :: 123.23(3.54) 1.M125 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.49 M 0.47 A 0.02 C Shift Assignments>> C :: 177.288 CA :: 57.489 CB :: 32.861 CE :: 16.735 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 :: 8.382 HA :: 4.221 HE1 :: 1.594 HE2 :: 1.594 HE3 :: 1.594 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 :: 112.589 Ave N Shift Values>> N :: 120.09(3.57) 1.N126 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.45 D 0.26 L 0.08 C 0.06 F 0.06 Y 0.05 HN Overlap>> 1.T39 1.T39 C Shift Assignments>> C :: 174.519 CA :: 52.65 CB :: 39.643 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 :: 7.369 HA :: 4.911 HB2 :: 2.991 HB3 :: 2.737 HD21 :: 7.723 HD22 :: 6.984 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 :: 116.123 ND2 :: 113.551 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.H127 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.41 W 0.34 C 0.24 HN Overlap>> 1.Y33 1.Y33 C Shift Assignments>> CA :: 54.935 CB :: 29.553 CD2 :: 120.52 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 :: 7.732 HA :: 4.741 HB2 :: 3.266 HB3 :: 3.3 HD2 :: 7.257 HE1 :: 8.484 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 :: 123.915 ND1 :: 177.711 NE2 :: 190.067 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.P128 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.73 C 0.26 C Shift Assignments>> C :: 176.522 CA :: 63.211 CB :: 32.224 CD :: 50.878 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 :: 4.441 HB2 :: 2.171 HG2 :: 1.872 HG3 :: 1.799 HD2 :: 3.786 HD3 :: 2.825 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.G129 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 G 0.28 R 0.25 C 0.04 F 0.04 D 0.04 Y 0.02 C Shift Assignments>> C :: 173.548 CA :: 44.064 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.386 HA2 :: 4.307 HA3 :: 3.862 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.092 Ave N Shift Values>> N :: 109.67(3.87) 1.H130 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.39 W 0.34 C 0.26 HN Overlap>> 1.K157 1.K157 C Shift Assignments>> C :: 174.905 CA :: 55.639 CB :: 29.489 CD2 :: 119.708 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 :: 8.652 HA :: 5.013 HB2 :: 3.29 HB3 :: 3.189 HD2 :: 7.447 HE1 :: 8.484 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 :: 119.716 ND1 :: 179.079 NE2 :: 180.873 Ave N Shift Values>> N :: 119.69(4) ND1 :: 195.02(18.51) NE2 :: 182.41(14.4) 1.L131 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.72 G 0.22 L 0.05 C Shift Assignments>> C :: 174.968 CA :: 55.35 CB :: 47.243 CG :: 28.066 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 :: 8.09 HA :: 5.007 HB2 :: 1.836 HB3 :: 1.661 HG :: 1.641 HD11 :: 1.005 HD12 :: 1.005 HD13 :: 1.005 HD21 :: 0.935 HD22 :: 0.935 HD23 :: 0.935 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 :: 129.447 Ave N Shift Values>> N :: 121.86(3.9) 1.K132 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.27 C 0.23 M 0.14 N 0.09 Y 0.08 K 0.05 F 0.04 Q 0.03 I 0.01 C Shift Assignments>> C :: 174.976 CA :: 55.352 CB :: 36.221 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 :: 7.841 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 :: 121.939 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L133 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.43 L 0.42 C 0.13 HN Overlap>> 1.L22 1.L22 C Shift Assignments>> C :: 174.049 CA :: 52.959 CB :: 44.681 CG :: 27.207 CD1 :: 24.513 CD2 :: 25.023 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 :: 9.299 HA :: 5.118 HG :: 1.449 HD11 :: 0.637 HD12 :: 0.637 HD13 :: 0.637 HD21 :: 0.25 HD22 :: 0.25 HD23 :: 0.25 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 :: 122.137 Ave N Shift Values>> N :: 121.86(3.9) 1.F134 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 C 0.28 Y 0.26 C Shift Assignments>> C :: 175.296 CA :: 57.675 CB :: 38.386 CE1 :: 130.581 CZ :: 128.994 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 :: 9.822 HA :: 5.053 HB2 :: 3.423 HD1 :: 7.377 HE1 :: 6.981 HZ :: 6.79 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 :: 127.474 Ave N Shift Values>> N :: 120.45(4.18) 1.V135 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.55 V 0.44 C Shift Assignments>> C :: 175.09 CA :: 61.032 CB :: 35.903 CG1 :: 21.194 CG2 :: 21.172 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 :: 9.095 HA :: 4.62 HB :: 2.053 HG11 :: 0.58 HG12 :: 0.58 HG13 :: 0.58 HG21 :: 0.539 HG22 :: 0.539 HG23 :: 0.539 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 :: 127.558 Ave N Shift Values>> N :: 121.14(4.54) 1.T136 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.52 T 0.46 S 0.01 HN Overlap>> 1.F147 1.F147 C Shift Assignments>> C :: 173.427 CA :: 60.941 CB :: 68.233 CG2 :: 23.583 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 :: 9.383 HA :: 5.092 HB :: 4.134 HG21 :: 0.824 HG22 :: 0.824 HG23 :: 0.824 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 :: 127.223 Ave N Shift Values>> N :: 115.42(4.75) 1.R137 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.53 C 0.27 G 0.18 C Shift Assignments>> C :: 174.488 CA :: 53.215 CB :: 29.285 CD :: 43.551 CZ :: 159.536 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 :: 9.385 HA :: 4.324 HB2 :: 1.77 HB3 :: 1.903 HD2 :: 2.84 HD3 :: 2.859 HE :: 7.912 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 :: 128.594 NE :: 85.646 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.I138 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> C 0.56 I 0.43 C Shift Assignments>> C :: 178.72 CA :: 60.846 CB :: 36.458 CG1 :: 26.647 CG2 :: 17.347 CD1 :: 10.541 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 :: 9.008 HA :: 3.999 HB :: 1.352 HG12 :: 0.065 HG13 :: 0.091 HG21 :: 0.506 HG22 :: 0.506 HG23 :: 0.506 HD11 :: -0.95(S) HD12 :: -0.95(S) HD13 :: -0.95(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 :: 126.634 Ave N Shift Values>> N :: 121.46(4.28) 1.M139 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Suspicious PRTL>> H 0.15 R 0.15 E 0.14 W 0.14 C 0.12 Q 0.12 M 0.07 K 0.06 C Shift Assignments>> C :: 175.373 CA :: 56.699 CB :: 30.435 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 :: 8.937 HA :: 4.239 HB2 :: 2.286 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 :: 133.156(S) Ave N Shift Values>> N :: 120.09(3.57) 1.Q140 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.58 Q 0.36 E 0.05 C Shift Assignments>> C :: 174.335 CA :: 55.536 CB :: 32.589 CG :: 33.922 CD :: 179.614 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 :: 8.416 HA :: 4.332 HB2 :: 2.062 HB3 :: 1.825 HE21 :: 7.197 HE22 :: 6.763 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 :: 119.09 NE2 :: 112.36 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.D141 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.28 L 0.23 K 0.14 F 0.1 Y 0.07 N 0.07 C 0.05 R 0.02 C Shift Assignments>> C :: 175.563 CA :: 54.711 CB :: 41.344 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 :: 8.828 HA :: 4.841 HB2 :: 2.454 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 :: 125.661 Ave N Shift Values>> N :: 120.65(3.86) 1.F142 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.83 C 0.08 F 0.04 Y 0.04 C Shift Assignments>> C :: 176.181 CA :: 58.213 CB :: 45.404 CD1 :: 132.819 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 :: 8.104 HA :: 4.765 HB2 :: 3.104 HB3 :: 2.639 HD1 :: 7.375 HE1 :: 7.275 HZ :: 7.246 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 :: 117.804 Ave N Shift Values>> N :: 120.45(4.18) 1.E143 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 C 0.13 K 0.13 Q 0.12 H 0.12 R 0.1 I 0.03 M 0.03 C Shift Assignments>> C :: 176.013 CA :: 57.902 CB :: 29.347 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 :: 9.275 HA :: 4.326 HB2 :: 2.121 HB3 :: 1.998 HG2 :: 2.407 HG3 :: 2.244 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 :: 127.503 Ave N Shift Values>> N :: 120.67(3.48) 1.S144 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.83 S 0.16 C Shift Assignments>> C :: 171.898 CA :: 58.712 CB :: 67.645 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.917 HA :: 4.84 HB2 :: 3.589 HB3 :: 3.256 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 :: 121.394 Ave N Shift Values>> N :: 116.28(3.52) 1.D145 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.3 D 0.27 R 0.13 K 0.08 N 0.04 C 0.04 F 0.04 G 0.02 Y 0.02 C Shift Assignments>> C :: 175.524 CA :: 52.796 CB :: 42.583 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 :: 9.173 HA :: 4.888 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 :: 118.345 Ave N Shift Values>> N :: 120.65(3.86) 1.T146 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> T 0.86 C 0.13 C Shift Assignments>> C :: 172.918 CA :: 62.204 CB :: 71.868 CG2 :: 21.544 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 :: 7.239 HA :: 4.647 HB :: 3.694 HG21 :: 1.385 HG22 :: 1.385 HG23 :: 1.385 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 :: 117.854 Ave N Shift Values>> N :: 115.42(4.75) 1.F147 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> R 0.28 L 0.18 K 0.15 F 0.13 Y 0.08 C 0.07 D 0.04 G 0.02 I 0.01 HN Overlap>> 1.T136 1.T136 C Shift Assignments>> C :: 174.228 CA :: 57.964 CB :: 42.876 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 :: 9.351 HA :: 5.42 HB2 :: 3.18 HB3 :: 2.7 HD1 :: 7.213 HE1 :: 7.205 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 :: 127.213 Ave N Shift Values>> N :: 120.45(4.18) 1.F148 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.47 F 0.36 C 0.15 C Shift Assignments>> CA :: 55.828 CB :: 41.817 CD1 :: 132.863 CE1 :: 129.932 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 :: 9.297 HA :: 4.789 HB2 :: 2.824 HD1 :: 7.041 HE1 :: 6.288 HZ :: 6.778 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 :: 126.312 Ave N Shift Values>> N :: 120.45(4.18) 1.P149 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.98 C Shift Assignments>> C :: 173.039 CA :: 62.146 CD :: 50.065 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 :: 4.18 HD2 :: 3.465 HD3 :: 1.597(S) 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.E150 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.14 H 0.14 W 0.14 R 0.13 Q 0.13 C 0.12 K 0.09 M 0.05 I 0.01 C Shift Assignments>> C :: 176.979 CA :: 56.999 CB :: 30.036 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 :: 7.713 HA :: 3.92 HB2 :: 1.882 HB3 :: 1.826 HG2 :: 2.273 HG3 :: 2.15 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 :: 116.371 Ave N Shift Values>> N :: 120.67(3.48) 1.I151 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>> C :: 174.91 CA :: 61.366 CB :: 38.459 CG2 :: 17.022 CD1 :: 13.064 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 :: 8.305 HA :: 3.409 HB :: 1.335 HG21 :: -0.065 HG22 :: -0.065 HG23 :: -0.065 HD11 :: 0.242 HD12 :: 0.242 HD13 :: 0.242 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 :: 125.823 Ave N Shift Values>> N :: 121.46(4.28) 1.D152 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.35 L 0.2 N 0.15 F 0.08 K 0.07 Y 0.06 C 0.05 C Shift Assignments>> C :: 177.296 CA :: 53.687 CB :: 41.008 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 :: 8.445 HA :: 4.589 HB3 :: 2.727 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 :: 127.621 Ave N Shift Values>> N :: 120.65(3.86) 1.L153 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.2 D 0.2 Y 0.17 L 0.16 C 0.09 K 0.06 N 0.05 I 0.02 C Shift Assignments>> C :: 178.26 CA :: 56.238 CB :: 40.535 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 :: 8.896 HA :: 4.85 HB2 :: 1.9 HB3 :: 1.833 HG :: 1.878 HD11 :: 1.057 HD12 :: 1.057 HD13 :: 1.057 HD21 :: 0.948 HD22 :: 0.948 HD23 :: 0.948 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 :: 129.647 Ave N Shift Values>> N :: 121.86(3.9) 1.E154 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> W 0.14 E 0.14 Q 0.13 C 0.13 K 0.12 H 0.12 R 0.11 M 0.03 I 0.02 HN Overlap>> 1.V115 1.V115 C Shift Assignments>> C :: 177.648 CA :: 57.634 CB :: 29.504 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 :: 8.726 HA :: 4.333 HB2 :: 2.144 HB3 :: 2.107 HG2 :: 2.4 HG3 :: 2.222 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 :: 117.498 Ave N Shift Values>> N :: 120.67(3.48) 1.K155 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.23 E 0.17 M 0.17 Q 0.14 K 0.12 Y 0.03 H 0.01 V 0.01 R 0.01 F 0.01 I 0.01 W 0.01 HN Overlap>> 1.V109 1.V109 C Shift Assignments>> C :: 175.296 CA :: 56.946 CB :: 35.01 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 :: 7.59 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 :: 118.512 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y156 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.71 C 0.28 C Shift Assignments>> C :: 174.095 CA :: 58.055 CB :: 40.705 CD1 :: 133.126 CE1 :: 117.817 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 :: 8.413 HA :: 4.564 HB2 :: 2.652 HB3 :: 2.581 HD1 :: 7.01 HE1 :: 6.725 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 :: 118.13 Ave N Shift Values>> N :: 120.52(4.2) 1.K157 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.22 Q 0.18 K 0.12 E 0.08 N 0.03 H 0.02 R 0.02 Y 0.01 W 0.01 HN Overlap>> 1.H130 1.H130 C Shift Assignments>> CA :: 54.025 CB :: 34.743 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 :: 8.565 HA :: 4.721 HB2 :: 1.89 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 :: 119.646 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.L158 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.54 C 0.23 A 0.11 R 0.08 G 0.01 C Shift Assignments>> C :: 176.766 CA :: 54.64 CB :: 42.412 CG :: 26.634 CD1 :: 26.225 CD2 :: 22.185 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 :: 8.704 HA :: 3.899 HB2 :: 1.644 HB3 :: 1.206 HG :: 1.084 HD11 :: 0.753 HD12 :: 0.753 HD13 :: 0.753 HD21 :: 0.246 HD22 :: 0.246 HD23 :: 0.246 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 :: 126.685 Ave N Shift Values>> N :: 121.86(3.9) 1.L159 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.37 N 0.26 L 0.16 C 0.05 F 0.05 K 0.03 Y 0.03 C Shift Assignments>> CA :: 52.034 CB :: 40.926 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 :: 9.161 HA :: 4.747 HB2 :: 1.488 HB3 :: 1.763 HG :: 1.651 HD11 :: 0.981 HD12 :: 0.981 HD13 :: 0.981 HD21 :: 0.946 HD22 :: 0.946 HD23 :: 0.946 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 :: 131.554 Ave N Shift Values>> N :: 121.86(3.9) 1.P160 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 176.441 CA :: 63.906 CB :: 32.087 CD :: 50.508 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 :: 4.315 HD2 :: 3.918 HD3 :: 3.882 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.E161 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> H 0.16 R 0.16 M 0.14 C 0.13 W 0.11 Q 0.1 E 0.09 K 0.08 C Shift Assignments>> C :: 174.213 CA :: 54.727 CB :: 31.003 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 :: 7.73 HA :: 4.419 HB3 :: 1.912 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 :: 113.66 Ave N Shift Values>> N :: 120.67(3.48) 1.Y162 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.64 C 0.33 G 0.01 C Shift Assignments>> CA :: 57.113 CB :: 41.916 CD1 :: 134.232 CE1 :: 117.725 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 :: 8.804 HA :: 4.645 HB2 :: 2.773 HB3 :: 2.779 HD1 :: 7.267 HE1 :: 6.909 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 :: 124.924 Ave N Shift Values>> N :: 120.52(4.2) 1.P163 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Indeterminable PRTL>> P 0.8 C 0.19 C Shift Assignments>> C :: 177.171 CA :: 64.003 CB :: 31.587 CD :: 50.632 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 :: 4.188 HB2 :: 2.108 HB3 :: 1.701 HD2 :: 3.337 HD3 :: 1.928(S) 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.G164 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> G 0.84 L 0.09 C 0.02 R 0.01 C Shift Assignments>> C :: 173.791 CA :: 45.334 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.736 HA2 :: 4.189 HA3 :: 3.679 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 110.774 Ave N Shift Values>> N :: 109.67(3.87) 1.V165 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.59 C 0.4 C Shift Assignments>> C :: 176.452 CA :: 61.679 CB :: 33.563 CG1 :: 22.618 CG2 :: 21.944 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 :: 7.997 HA :: 4.419 HB :: 2.31 HG11 :: 1.301 HG12 :: 1.301 HG13 :: 1.301 HG21 :: 1 HG22 :: 1 HG23 :: 1 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 :: 122.384 Ave N Shift Values>> N :: 121.14(4.54) 1.L166 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.59 C 0.34 A 0.03 G 0.02 C Shift Assignments>> C :: 178.25 CA :: 55.653 CB :: 42.598 CG :: 27.303 CD1 :: 22.946 CD2 :: 22.923 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 :: 8.902 HA :: 4.488 HB2 :: 1.9 HB3 :: 1.748 HG :: 1.791 HD11 :: 1.042 HD12 :: 1.042 HD13 :: 1.042 HD21 :: 0.965 HD22 :: 0.965 HD23 :: 0.965 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 :: 130.473 Ave N Shift Values>> N :: 121.86(3.9) 1.S167 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> S 0.99 HN Overlap>> 1.G85 1.G85 C Shift Assignments>> C :: 174.905 CA :: 59.154 CB :: 64.614 Ave C Shift Values>> C :: 174.62(1.72) CA :: 58.72(2.07) CB :: 63.8(1.48) H Shift Assignments>> H :: 8.835 HA :: 4.732 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 :: 117.026 Ave N Shift Values>> N :: 116.28(3.52) 1.D168 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> D 0.33 L 0.24 K 0.11 N 0.1 F 0.06 C 0.04 Y 0.04 R 0.02 C Shift Assignments>> C :: 176.82 CA :: 53.465 CB :: 41.528 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 :: 7.951 HA :: 4.622 HB2 :: 2.413 HB3 :: 2.389 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 :: 120.134 Ave N Shift Values>> N :: 120.65(3.86) 1.V169 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> V 0.45 P 0.41 C 0.09 I 0.01 HN Overlap>> 1.E62 1.E62 C Shift Assignments>> C :: 175.382 CA :: 64.987 CB :: 31.891 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 :: 8.747 HA :: 3.627 HB :: 1.83 HG11 :: 0.964 HG12 :: 0.964 HG13 :: 0.964 HG21 :: 0.842 HG22 :: 0.842 HG23 :: 0.842 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 :: 124.692 Ave N Shift Values>> N :: 121.14(4.54) 1.Q170 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> H 0.18 C 0.17 R 0.15 M 0.12 W 0.1 Q 0.09 E 0.05 P 0.05 K 0.05 C Shift Assignments>> C :: 173.728 CA :: 52.431 CB :: 30.612 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 :: 9.005 HA :: 4.106 HB2 :: 1.356 HB3 :: 0.033(S) HE21 :: 6.99 HE22 :: 6.856 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 :: 128.349 NE2 :: 116.812 Ave N Shift Values>> N :: 119.89(3.6) NE2 :: 111.87(1.72) 1.E171 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.22 K 0.18 Q 0.17 C 0.16 R 0.08 H 0.08 W 0.04 E 0.03 V 0.01 C Shift Assignments>> C :: 175.715 CA :: 55.445 CB :: 33.108 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 :: 8.024 HA :: 5.151 HB2 :: 1.696 HB3 :: 1.706 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 :: 117.652 Ave N Shift Values>> N :: 120.67(3.48) 1.E172 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.22 Q 0.22 M 0.22 K 0.17 H 0.03 R 0.03 W 0.02 Y 0.01 V 0.01 C Shift Assignments>> C :: 174.591 CA :: 56.43 CB :: 34.513 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 :: 8.807 HA :: 4.499 HB2 :: 2.164 HB3 :: 2.157 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 :: 126.213 Ave N Shift Values>> N :: 120.67(3.48) 1.K173 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.15 H 0.15 W 0.15 Q 0.14 R 0.14 C 0.13 M 0.05 K 0.04 I 0.01 C Shift Assignments>> C :: 176.128 CA :: 56.908 CB :: 29.855 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 :: 9.347 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 :: 120.705 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.G174 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>> C :: 173.889 CA :: 45.404 Ave C Shift Values>> C :: 173.87(1.88) CA :: 45.35(1.34) H Shift Assignments>> H :: 8.787 HA2 :: 4.078 HA3 :: 3.645 Ave H Shift Values>> H :: 8.33(0.65) HA2 :: 3.97(0.37) HA3 :: 3.9(0.37) N Shift Assignments>> N :: 104.095 Ave N Shift Values>> N :: 109.67(3.87) 1.I175 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> I 0.64 C 0.35 C Shift Assignments>> C :: 174.402 CA :: 60.903 CB :: 38.981 CG1 :: 27.722 CG2 :: 18.481 CD1 :: 14.32 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 :: 8.347 HA :: 4.087 HB :: 2.145 HG12 :: 1.67 HG13 :: 1.068 HG21 :: 0.796 HG22 :: 0.796 HG23 :: 0.796 HD11 :: 1 HD12 :: 1 HD13 :: 1 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 :: 125.066 Ave N Shift Values>> N :: 121.46(4.28) 1.K176 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.24 C 0.21 Q 0.18 K 0.13 E 0.09 H 0.02 R 0.02 N 0.02 Y 0.01 W 0.01 HN Overlap>> 1.L75 1.L75 C Shift Assignments>> C :: 175.951 CA :: 54.766 CB :: 34.746 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 :: 8.354 HA :: 5.315 HB2 :: 1.644 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 :: 126.58 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.Y177 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.72 C 0.26 C Shift Assignments>> C :: 171.858 CA :: 55.524 CB :: 41.442 CD1 :: 133.599 CE1 :: 117.731 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 :: 8.539 HA :: 5.371 HB2 :: 2.689 HB3 :: 2.167 HD1 :: 6.158 HE1 :: 6.453 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 :: 116.236 Ave N Shift Values>> N :: 120.52(4.2) 1.K178 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.29 C 0.22 E 0.16 M 0.12 Y 0.06 F 0.04 K 0.02 D 0.01 Q 0.01 C Shift Assignments>> C :: 173.219 CA :: 53.883 CB :: 36.5 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 :: 8.273 HA :: 4.309 HB2 :: 1.762 HB3 :: 1.585 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 :: 116.372 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.F179 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> F 0.45 Y 0.33 C 0.2 HN Overlap>> 1.Y182 1.Y182 C Shift Assignments>> C :: 175.759 CA :: 56.811 CB :: 40.127 CD1 :: 132.361 CE1 :: 130.687 CZ :: 127.971 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 :: 9.248 HA :: 5.173 HB2 :: 3.18 HB3 :: 2.893 HD1 :: 7.251 HE1 :: 6.928 HZ :: 7.056 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 :: 123.242 Ave N Shift Values>> N :: 120.45(4.18) 1.E180 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> C 0.29 M 0.26 Q 0.12 K 0.11 N 0.08 Y 0.04 F 0.02 H 0.01 R 0.01 C Shift Assignments>> C :: 175.813 CA :: 54.56 CB :: 35.451 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 :: 9.361 HA :: 4.64 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 :: 122.73 Ave N Shift Values>> N :: 120.67(3.48) 1.V181 Overall: Suspicious Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Suspicious N Shifts: Consistent PRTL>> V 0.55 C 0.44 C Shift Assignments>> C :: 173.233 CA :: 61.316 CB :: 34.016 CG1 :: 20.137 CG2 :: 21.377 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 :: 8.618 HA :: 4.758 HB :: 1.484 HG11 :: -0.375(S) HG12 :: -0.375(S) HG13 :: -0.375(S) HG21 :: 0.488 HG22 :: 0.488 HG23 :: 0.488 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 :: 123.407 Ave N Shift Values>> N :: 121.14(4.54) 1.Y182 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> Y 0.51 C 0.31 G 0.17 HN Overlap>> 1.F179 1.F179 C Shift Assignments>> C :: 176.056 CA :: 55.493 CB :: 43.02 CD1 :: 132.449 CE1 :: 119.3 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 :: 9.242 HA :: 5.57 HB2 :: 2.8 HB3 :: 2.703 HD1 :: 6.754 HE1 :: 6.729 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 :: 123.197 Ave N Shift Values>> N :: 120.52(4.2) 1.E183 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> M 0.26 C 0.25 Q 0.18 K 0.14 Y 0.02 N 0.02 H 0.02 R 0.02 F 0.01 W 0.01 C Shift Assignments>> C :: 174.806 CA :: 55.201 CB :: 34.988 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 :: 9.319 HA :: 5.359 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 :: 120.38 Ave N Shift Values>> N :: 120.67(3.48) 1.K184 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> E 0.25 C 0.23 M 0.18 K 0.08 Q 0.07 Y 0.05 N 0.05 F 0.02 H 0.01 C Shift Assignments>> C :: 175.085 CA :: 55.434 CB :: 35.721 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 :: 8.872 HA :: 4.611 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 :: 127.138 Ave N Shift Values>> N :: 121.05(3.77) NZ :: 33.81(2.81) 1.N185 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> N 0.58 D 0.29 C 0.11 C Shift Assignments>> C :: 173.503 CA :: 53.682 CB :: 39.958 CG :: 176.632 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 :: 8.838 HA :: 4.713 HB2 :: 2.773 HB3 :: 2.52 HD21 :: 7.38 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 :: 123.09 ND2 :: 112.248 Ave N Shift Values>> N :: 118.93(4.03) ND2 :: 112.75(2.23) 1.D186 Overall: Consistent Typing: Consistent SRO: Consistent C Shifts: Consistent H Shifts: Consistent N Shifts: Consistent PRTL>> L 0.29 R 0.21 D 0.15 K 0.14 F 0.07 C 0.04 Y 0.04 G 0.01 N 0.01 C Shift Assignments>> CA :: 55.365 CB :: 42.712 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 :: 7.844 HA :: 4.354 HB2 :: 2.612 HB3 :: 2.612 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 :: 126.62 Ave N Shift Values>> N :: 120.65(3.86) 2.NAP1 Overall Status: Residue type NAP not supported. 3.TOP1 Overall Status: Residue type TOP not supported. ########################################################################### Overall Results: #Consistent: 157 #Clerical: 0 #Suspicious: 21 #Anomalous: 7 #Mistyped: 1 #Indeterminable: 0 Typing Results: #Consistent: 184 #Suspicious: 1 #Mistyped: 1 #Indeterminable: 0 Shift Relative Order (SRO) Results: #Consistent: 183 #Suspicious: 3 C Shift Results: #Consistent: 703 #Duplicate: 0 #Unknown: 0 #Suspicious: 3 #Anomalous: 0 H Shift Results: #Consistent:1071 #Duplicate: 0 #Unknown: 0 #Suspicious: 33 #Anomalous: 6 N Shift Results: #Consistent: 202 #Duplicate: 0 #Unknown: 0 #Suspicious: 1 #Anomalous: 1 Error Summary: 1.N5 HB2 = 1.444(S), Expected = 2.81, Std = 0.3100, ChiSquare = 1.0508e-05 1.N5 HB3 = 1.217(S), Expected = 2.75, Std = 0.3300, ChiSquare = 3.3933e-06 1.N5 HD22 = 5.108(S), Expected = 7.14, Std = 0.4900, ChiSquare = 3.3695e-05 1.N5 SRO Rule Break>> HD22 > HA : 0.996558505408063 1.I7 HA = 6.365(A), Expected = 4.18, Std = 0.5600, ChiSquare = 9.5486e-05 1.S11 HB2 = 5.414(A), Expected = 3.88, Std = 0.2500, ChiSquare = 8.4625e-10 1.I16 Typing: Mistyped 1.I16 CG1 = 19.811(S), Expected = 27.71, Std = 1.6800, ChiSquare = 2.5790e-06 1.N19 H = 10.751(S), Expected = 8.34, Std = 0.6300, ChiSquare = 1.2972e-04 1.L22 HB3 = -0.238(S), Expected = 1.52, Std = 0.3600, ChiSquare = 1.0431e-06 1.P23 HD3 = 0.435(S), Expected = 3.61, Std = 0.3900, ChiSquare = 3.9194e-16 1.W24 H = 5.171(S), Expected = 8.29, Std = 0.7900, ChiSquare = 7.8773e-05 1.N29 H = 11.155(S), Expected = 8.34, Std = 0.6300, ChiSquare = 7.8861e-06 1.F34 CD1 = 127.677(S), Expected = 131.58, Std = 1.1800, ChiSquare = 9.4090e-04 1.M37 HB2 = 0.664(S), Expected = 2.03, Std = 0.3400, ChiSquare = 5.8782e-05 1.M37 HB3 = 0.722(S), Expected = 1.99, Std = 0.3400, ChiSquare = 1.9193e-04 1.T38 HA = 1.961(S), Expected = 4.46, Std = 0.4800, ChiSquare = 1.9270e-07 1.T38 HB = 2.97(S), Expected = 4.17, Std = 0.3300, ChiSquare = 2.7651e-04 1.T38 HG21 = -0.159(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.6249e-08 1.T38 HG22 = -0.159(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.6249e-08 1.T38 HG23 = -0.159(S), Expected = 1.14, Std = 0.2300, ChiSquare = 1.6249e-08 1.K46 HD2 = 2.817(S), Expected = 1.61, Std = 0.2200, ChiSquare = 4.1029e-08 1.K46 SRO Rule Break>> HE2 > HD2 : 0.998085513720485 1.K55 Typing: Suspicious 1.K55 CE = 37.634(S), Expected = 41.89, Std = 0.8200, ChiSquare = 2.1002e-07 1.W57 HD1 = 4.694(A), Expected = 7.14, Std = 0.3600, ChiSquare = 1.0873e-11 1.R65 HD2 = 0.897(A), Expected = 3.12, Std = 0.2400, ChiSquare = 1.9970e-20 1.R65 HD3 = 2.209(S), Expected = 3.10, Std = 0.2600, ChiSquare = 6.1046e-04 1.R65 SRO Rule Break>> HD2 > HB2 : 0.994969040247678 1.R65 SRO Rule Break>> HD2 > HB3 : 0.995112016293279 1.N72 H = 12.919(A), Expected = 8.34, Std = 0.6300, ChiSquare = 3.6416e-13 1.L75 HB2 = 0.481(S), Expected = 1.61, Std = 0.3400, ChiSquare = 8.9828e-04 1.L75 HB3 = -0.429(S), Expected = 1.52, Std = 0.3600, ChiSquare = 6.1670e-08 1.S76 HG = 9.362(A), Expected = 5.36, Std = 1.0300, ChiSquare = 1.0215e-04 1.R77 H = 11.047(S), Expected = 8.24, Std = 0.6100, ChiSquare = 4.1918e-06 1.A86 HB1 = 0.223(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.4602e-05 1.A86 HB2 = 0.223(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.4602e-05 1.A86 HB3 = 0.223(S), Expected = 1.35, Std = 0.2600, ChiSquare = 1.4602e-05 1.H87 NE2 = 247.152(A), Expected = 182.41, Std = 14.4000, ChiSquare = 6.9253e-06 1.W113 HH2 = 5.142(S), Expected = 6.98, Std = 0.3900, ChiSquare = 2.4431e-06 1.I138 HD11 = -0.95(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.9020e-08 1.I138 HD12 = -0.95(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.9020e-08 1.I138 HD13 = -0.95(S), Expected = 0.68, Std = 0.2900, ChiSquare = 1.9020e-08 1.M139 N = 133.156(S), Expected = 120.09, Std = 3.5700, ChiSquare = 2.5227e-04 1.P149 HD3 = 1.597(S), Expected = 3.61, Std = 0.3900, ChiSquare = 2.4493e-07 1.P163 HD3 = 1.928(S), Expected = 3.61, Std = 0.3900, ChiSquare = 1.6118e-05 1.Q170 HB3 = 0.033(S), Expected = 2.02, Std = 0.2800, ChiSquare = 1.2802e-12 1.V181 HG11 = -0.375(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.5760e-06 1.V181 HG12 = -0.375(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.5760e-06 1.V181 HG13 = -0.375(S), Expected = 0.83, Std = 0.2600, ChiSquare = 3.5760e-06